 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer01_STD_M11_def2SVPD.in
 Output=10_L-serine_conformer01_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-76440.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     76441.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=10_L-serine_conformer01_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:30:56 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "10_L-serine_conformer01_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.400902000000      0.606476000000      0.330203000000
  C                                                 0.023343000000      0.604862000000     -0.347509000000
  C                                                -0.733110000000     -0.696797000000     -0.043039000000
  O                                                -2.048935000000     -0.547476000000      0.094953000000
  O                                                 2.244705000000     -0.411378000000     -0.147633000000
  N                                                -0.823363000000      1.751312000000     -0.004429000000
  O                                                -0.187475000000     -1.769200000000      0.050668000000
  H                                                 0.182702000000      0.606179000000     -1.429434000000
  H                                                 1.891186000000      1.559018000000      0.119143000000
  H                                                 1.257893000000      0.539142000000      1.419890000000
  H                                                -2.208899000000      0.421463000000      0.023461000000
  H                                                -0.669033000000      2.051352000000      0.952422000000
  H                                                -0.651577000000      2.542659000000     -0.609638000000
  H                                                 1.748102000000     -1.241813000000     -0.066668000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Aug 12 21:30:56 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.400902    0.606476    0.330203
      2          6           0        0.023343    0.604862   -0.347509
      3          6           0       -0.733110   -0.696797   -0.043039
      4          8           0       -2.048935   -0.547476    0.094953
      5          8           0        2.244705   -0.411378   -0.147633
      6          7           0       -0.823363    1.751312   -0.004429
      7          8           0       -0.187475   -1.769200    0.050668
      8          1           0        0.182702    0.606179   -1.429434
      9          1           0        1.891186    1.559018    0.119143
     10          1           0        1.257893    0.539142    1.419890
     11          1           0       -2.208899    0.421463    0.023461
     12          1           0       -0.669033    2.051352    0.952422
     13          1           0       -0.651577    2.542659   -0.609638
     14          1           0        1.748102   -1.241813   -0.066668
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.535241   0.000000
     3  C    2.528208   1.535982   0.000000
     4  O    3.645315   2.412051   1.331441   0.000000
     5  O    1.405830   2.450947   2.993290   4.302640   0.000000
     6  N    2.523882   1.465934   2.450076   2.606977   3.756431
     7  O    2.871396   2.416435   1.206875   2.227017   2.792580
     8  H    2.140171   1.093599   2.111528   2.938517   2.632545
     9  H    1.091907   2.148724   3.464381   4.467936   2.019556
    10  H    1.101092   2.156880   2.762571   3.724421   2.081926
    11  H    3.627531   2.270277   1.852804   0.984653   4.534036
    12  H    2.599895   2.064349   2.923589   3.064847   3.970520
    13  H    2.974017   2.068643   3.289644   3.463812   4.162719
    14  H    1.922037   2.542415   2.540475   3.863381   0.970975
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.577904   0.000000
     8  H    2.086657   2.823147   0.000000
     9  H    2.724156   3.924609   2.494977   0.000000
    10  H    2.798154   3.048327   3.046174   1.770071   0.000000
    11  H    1.920673   2.980923   2.804421   4.256041   3.739319
    12  H    1.014596   3.954956   2.913283   2.737055   2.493662
    13  H    1.010949   4.386744   2.262309   2.822112   3.432075
    14  H    3.946531   2.009568   2.778972   2.810632   2.371067
                   11         12         13         14
    11  H    0.000000
    12  H    2.427075   0.000000
    13  H    2.706573   1.637595   0.000000
    14  H    4.293305   4.210228   4.513923   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.69D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.400902    0.606476    0.330203
      2          6           0        0.023343    0.604862   -0.347509
      3          6           0       -0.733110   -0.696797   -0.043039
      4          8           0       -2.048935   -0.547476    0.094953
      5          8           0        2.244705   -0.411378   -0.147633
      6          7           0       -0.823363    1.751312   -0.004429
      7          8           0       -0.187475   -1.769200    0.050668
      8          1           0        0.182702    0.606179   -1.429434
      9          1           0        1.891186    1.559018    0.119143
     10          1           0        1.257893    0.539142    1.419890
     11          1           0       -2.208899    0.421463    0.023461
     12          1           0       -0.669033    2.051352    0.952422
     13          1           0       -0.651577    2.542659   -0.609638
     14          1           0        1.748102   -1.241813   -0.066668
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.6361596           2.3988948           1.5210373
 Leave Link  202 at Thu Aug 12 21:30:57 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 5 1.00
     Exponent=  1.7128415853D+03 Coefficients= -5.3934125305D-03
     Exponent=  2.5764812677D+02 Coefficients= -4.0221581118D-02
     Exponent=  5.8458245853D+01 Coefficients= -1.7931144990D-01
     Exponent=  1.6198367905D+01 Coefficients= -4.6376317823D-01
     Exponent=  5.0052600809D+00 Coefficients= -4.4171422662D-01
 S 1 1.00
     Exponent=  5.8731856571D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.8764592253D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.6171241529D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.3571470233D+01 Coefficients= -4.0072398852D-02
     Exponent=  2.9257372874D+00 Coefficients= -2.1807045028D-01
     Exponent=  7.9927750754D-01 Coefficients= -5.1294466049D-01
 P 1 1.00
     Exponent=  2.1954348034D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.0000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6697708112D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   219 symmetry adapted cartesian basis functions of A   symmetry.
 There are   205 symmetry adapted basis functions of A   symmetry.
   205 basis functions,   303 primitive gaussians,   219 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       327.0913727460 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:30:57 2021, MaxMem=  5368709120 cpu:               4.4 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   205 RedAO= T EigKep=  5.60D-05  NBF=   205
 NBsUse=   205 1.00D-06 EigRej= -1.00D+00 NBFU=   205
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   219   219   219   219   219 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Thu Aug 12 21:30:58 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:30:58 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer01_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:30:58 2021, MaxMem=  5368709120 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368609234 LenY=  5368560832
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -398.499271403535    
 DIIS: error= 5.29D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -398.499271403535     IErMin= 1 ErrMin= 5.29D-03
 ErrMax= 5.29D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.98D-02 BMatP= 1.98D-02
 IDIUse=3 WtCom= 9.47D-01 WtEn= 5.29D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.441 Goal=   None    Shift=    0.000
 GapD=    0.441 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=4.25D-03 MaxDP=1.15D-01              OVMax= 2.05D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  4.25D-03    CP:  9.87D-01
 E= -398.518469124102     Delta-E=       -0.019197720567 Rises=F Damp=F
 DIIS: error= 1.49D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -398.518469124102     IErMin= 2 ErrMin= 1.49D-03
 ErrMax= 1.49D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.25D-03 BMatP= 1.98D-02
 IDIUse=3 WtCom= 9.85D-01 WtEn= 1.49D-02
 Coeff-Com:  0.209D-01 0.979D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.206D-01 0.979D+00
 Gap=     0.419 Goal=   None    Shift=    0.000
 RMSDP=9.48D-04 MaxDP=3.55D-02 DE=-1.92D-02 OVMax= 1.07D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.38D-04    CP:  9.80D-01  1.14D+00
 E= -398.519314002878     Delta-E=       -0.000844878777 Rises=F Damp=F
 DIIS: error= 1.26D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -398.519314002878     IErMin= 3 ErrMin= 1.26D-03
 ErrMax= 1.26D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.71D-04 BMatP= 1.25D-03
 IDIUse=3 WtCom= 9.87D-01 WtEn= 1.26D-02
 Coeff-Com: -0.657D-01 0.479D+00 0.587D+00
 Coeff-En:   0.000D+00 0.102D+00 0.898D+00
 Coeff:     -0.649D-01 0.474D+00 0.591D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.84D-04 MaxDP=5.91D-03 DE=-8.45D-04 OVMax= 4.28D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.46D-04    CP:  9.80D-01  1.16D+00  9.52D-01
 E= -398.519962009405     Delta-E=       -0.000648006527 Rises=F Damp=F
 DIIS: error= 1.59D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -398.519962009405     IErMin= 4 ErrMin= 1.59D-04
 ErrMax= 1.59D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.32D-05 BMatP= 9.71D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.59D-03
 Coeff-Com: -0.169D-01 0.502D-01 0.137D+00 0.830D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.169D-01 0.501D-01 0.137D+00 0.830D+00
 Gap=     0.412 Goal=   None    Shift=    0.000
 RMSDP=8.25D-05 MaxDP=2.22D-03 DE=-6.48D-04 OVMax= 1.35D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.40D-05    CP:  9.79D-01  1.16D+00  1.01D+00  1.13D+00
 E= -398.519987054453     Delta-E=       -0.000025045047 Rises=F Damp=F
 DIIS: error= 7.76D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -398.519987054453     IErMin= 5 ErrMin= 7.76D-05
 ErrMax= 7.76D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.95D-06 BMatP= 2.32D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.346D-02-0.485D-01-0.420D-01 0.302D+00 0.785D+00
 Coeff:      0.346D-02-0.485D-01-0.420D-01 0.302D+00 0.785D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=2.89D-05 MaxDP=7.11D-04 DE=-2.50D-05 OVMax= 7.13D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.18D-05    CP:  9.79D-01  1.16D+00  1.03D+00  1.18D+00  1.04D+00
 E= -398.519992295614     Delta-E=       -0.000005241161 Rises=F Damp=F
 DIIS: error= 3.35D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -398.519992295614     IErMin= 6 ErrMin= 3.35D-05
 ErrMax= 3.35D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.69D-07 BMatP= 4.95D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.307D-02-0.274D-01-0.318D-01 0.789D-01 0.366D+00 0.611D+00
 Coeff:      0.307D-02-0.274D-01-0.318D-01 0.789D-01 0.366D+00 0.611D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=7.52D-06 MaxDP=2.40D-04 DE=-5.24D-06 OVMax= 2.23D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.34D-06    CP:  9.79D-01  1.16D+00  1.03D+00  1.19D+00  1.07D+00
                    CP:  1.07D+00
 E= -398.519992944038     Delta-E=       -0.000000648424 Rises=F Damp=F
 DIIS: error= 8.14D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -398.519992944038     IErMin= 7 ErrMin= 8.14D-06
 ErrMax= 8.14D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.07D-08 BMatP= 7.69D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.283D-03 0.481D-03-0.190D-02-0.324D-01-0.353D-01 0.185D+00
 Coeff-Com:  0.884D+00
 Coeff:      0.283D-03 0.481D-03-0.190D-02-0.324D-01-0.353D-01 0.185D+00
 Coeff:      0.884D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=5.19D-06 MaxDP=1.58D-04 DE=-6.48D-07 OVMax= 1.13D-04

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.87D-06    CP:  9.79D-01  1.16D+00  1.03D+00  1.19D+00  1.09D+00
                    CP:  1.22D+00  1.23D+00
 E= -398.519993034068     Delta-E=       -0.000000090031 Rises=F Damp=F
 DIIS: error= 2.83D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -398.519993034068     IErMin= 8 ErrMin= 2.83D-06
 ErrMax= 2.83D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.91D-09 BMatP= 6.07D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.182D-03 0.239D-02 0.238D-02-0.152D-01-0.371D-01-0.921D-02
 Coeff-Com:  0.223D+00 0.833D+00
 Coeff:     -0.182D-03 0.239D-02 0.238D-02-0.152D-01-0.371D-01-0.921D-02
 Coeff:      0.223D+00 0.833D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.48D-06 MaxDP=5.00D-05 DE=-9.00D-08 OVMax= 3.80D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  7.44D-07    CP:  9.79D-01  1.16D+00  1.03D+00  1.19D+00  1.10D+00
                    CP:  1.26D+00  1.33D+00  1.18D+00
 E= -398.519993041090     Delta-E=       -0.000000007022 Rises=F Damp=F
 DIIS: error= 1.48D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -398.519993041090     IErMin= 9 ErrMin= 1.48D-06
 ErrMax= 1.48D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.60D-10 BMatP= 4.91D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.913D-04 0.767D-03 0.109D-02-0.201D-02-0.857D-02-0.283D-01
 Coeff-Com: -0.280D-01 0.310D+00 0.755D+00
 Coeff:     -0.913D-04 0.767D-03 0.109D-02-0.201D-02-0.857D-02-0.283D-01
 Coeff:     -0.280D-01 0.310D+00 0.755D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=5.95D-07 MaxDP=3.13D-05 DE=-7.02D-09 OVMax= 1.43D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.35D-07    CP:  9.79D-01  1.16D+00  1.03D+00  1.19D+00  1.10D+00
                    CP:  1.27D+00  1.37D+00  1.31D+00  1.06D+00
 E= -398.519993042206     Delta-E=       -0.000000001115 Rises=F Damp=F
 DIIS: error= 2.62D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -398.519993042206     IErMin=10 ErrMin= 2.62D-07
 ErrMax= 2.62D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.32D-11 BMatP= 8.60D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.120D-05-0.907D-04-0.418D-04 0.102D-02 0.228D-02-0.370D-02
 Coeff-Com: -0.236D-01-0.345D-01 0.112D+00 0.946D+00
 Coeff:      0.120D-05-0.907D-04-0.418D-04 0.102D-02 0.228D-02-0.370D-02
 Coeff:     -0.236D-01-0.345D-01 0.112D+00 0.946D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.78D-07 MaxDP=5.08D-06 DE=-1.12D-09 OVMax= 5.02D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.15D-08    CP:  9.79D-01  1.16D+00  1.03D+00  1.19D+00  1.10D+00
                    CP:  1.27D+00  1.37D+00  1.34D+00  1.16D+00  1.17D+00
 E= -398.519993042297     Delta-E=       -0.000000000091 Rises=F Damp=F
 DIIS: error= 8.23D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -398.519993042297     IErMin=11 ErrMin= 8.23D-08
 ErrMax= 8.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.90D-12 BMatP= 4.32D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.907D-05-0.101D-03-0.122D-03 0.535D-03 0.156D-02 0.160D-02
 Coeff-Com: -0.397D-02-0.426D-01-0.415D-01 0.290D+00 0.795D+00
 Coeff:      0.907D-05-0.101D-03-0.122D-03 0.535D-03 0.156D-02 0.160D-02
 Coeff:     -0.397D-02-0.426D-01-0.415D-01 0.290D+00 0.795D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=5.60D-08 MaxDP=1.55D-06 DE=-9.14D-11 OVMax= 1.47D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.79D-08    CP:  9.79D-01  1.16D+00  1.03D+00  1.19D+00  1.10D+00
                    CP:  1.27D+00  1.38D+00  1.35D+00  1.19D+00  1.25D+00
                    CP:  1.16D+00
 E= -398.519993042309     Delta-E=       -0.000000000013 Rises=F Damp=F
 DIIS: error= 3.39D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -398.519993042309     IErMin=12 ErrMin= 3.39D-08
 ErrMax= 3.39D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.58D-13 BMatP= 6.90D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.289D-05-0.217D-04-0.346D-04 0.439D-04 0.202D-03 0.837D-03
 Coeff-Com:  0.159D-02-0.858D-02-0.243D-01-0.269D-01 0.215D+00 0.842D+00
 Coeff:      0.289D-05-0.217D-04-0.346D-04 0.439D-04 0.202D-03 0.837D-03
 Coeff:      0.159D-02-0.858D-02-0.243D-01-0.269D-01 0.215D+00 0.842D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=1.87D-08 MaxDP=6.80D-07 DE=-1.25D-11 OVMax= 5.43D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.04D-08    CP:  9.79D-01  1.16D+00  1.03D+00  1.19D+00  1.10D+00
                    CP:  1.27D+00  1.38D+00  1.35D+00  1.20D+00  1.27D+00
                    CP:  1.25D+00  1.18D+00
 E= -398.519993042310     Delta-E=       -0.000000000001 Rises=F Damp=F
 DIIS: error= 1.22D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -398.519993042310     IErMin=13 ErrMin= 1.22D-08
 ErrMax= 1.22D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.17D-13 BMatP= 7.58D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.118D-06 0.474D-05 0.321D-05-0.494D-04-0.128D-03 0.958D-04
 Coeff-Com:  0.111D-02 0.213D-02-0.356D-02-0.455D-01-0.230D-01 0.295D+00
 Coeff-Com:  0.774D+00
 Coeff:     -0.118D-06 0.474D-05 0.321D-05-0.494D-04-0.128D-03 0.958D-04
 Coeff:      0.111D-02 0.213D-02-0.356D-02-0.455D-01-0.230D-01 0.295D+00
 Coeff:      0.774D+00
 Gap=     0.413 Goal=   None    Shift=    0.000
 RMSDP=6.79D-09 MaxDP=2.50D-07 DE=-9.09D-13 OVMax= 1.76D-07

 SCF Done:  E(RM11) =  -398.519993042     A.U. after   13 cycles
            NFock= 13  Conv=0.68D-08     -V/T= 2.0106
 KE= 3.943488725118D+02 PE=-1.586399411398D+03 EE= 4.664391730983D+02
 Leave Link  502 at Thu Aug 12 21:31:35 2021, MaxMem=  5368709120 cpu:             296.2 elap:              37.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   205
 NBasis=   205 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    205 NOA=    28 NOB=    28 NVA=   177 NVB=   177

 **** Warning!!: The largest alpha MO coefficient is  0.37731383D+02

 Leave Link  801 at Thu Aug 12 21:31:36 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4250 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 8.26D-14 8.33D-09 XBig12= 1.00D+00 2.51D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 8.26D-14 8.33D-09 XBig12= 1.61D-01 6.35D-02.
     11 vectors produced by pass  2 Test12= 8.26D-14 8.33D-09 XBig12= 2.66D-02 4.17D-02.
     11 vectors produced by pass  3 Test12= 8.26D-14 8.33D-09 XBig12= 1.96D-03 1.03D-02.
     11 vectors produced by pass  4 Test12= 8.26D-14 8.33D-09 XBig12= 9.89D-05 1.54D-03.
     11 vectors produced by pass  5 Test12= 8.26D-14 8.33D-09 XBig12= 3.14D-06 2.58D-04.
     11 vectors produced by pass  6 Test12= 8.26D-14 8.33D-09 XBig12= 9.75D-08 4.18D-05.
     11 vectors produced by pass  7 Test12= 8.26D-14 8.33D-09 XBig12= 2.14D-09 5.27D-06.
     11 vectors produced by pass  8 Test12= 8.26D-14 8.33D-09 XBig12= 3.83D-11 8.41D-07.
     10 vectors produced by pass  9 Test12= 8.26D-14 8.33D-09 XBig12= 6.10D-13 9.78D-08.
      4 vectors produced by pass 10 Test12= 8.26D-14 8.33D-09 XBig12= 8.41D-15 1.20D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.24D-14
 Solved reduced A of dimension   113 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.644015D+02
      2 -0.285672D+01  0.638550D+02
      3 -0.336259D+00  0.240569D+00  0.478289D+02
 Isotropic polarizability for W=    0.088559       58.70 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.154059D+01 -0.176167D+02 -0.324277D+01
      2   0.337487D+01  0.267210D+02 -0.100401D+01
      3  -0.183428D+01 -0.910424D+01  0.424678D+01
      4   0.174988D+02  0.697126D+01  0.482672D+01
      5   0.293451D+01  0.375668D+01  0.153113D+02
      6   0.171769D+01  0.140204D+01  0.299693D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.117774D+01 -0.208773D+01 -0.132340D+02
      2   0.805366D+00  0.208281D+01  0.824332D+01
      3   0.990489D+01  0.377422D+01 -0.116052D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.107004D+01  0.240605D+01 -0.390736D+02
      2  -0.617728D+01  0.310903D+01  0.171455D+02
      3   0.351156D+02 -0.359639D+01 -0.203899D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.193636D+00 -0.150813D+00  0.337524D+00
      2  -0.150813D+00 -0.391873D+00 -0.131074D+01
      3   0.337524D+00 -0.131074D+01 -0.572130D-01
 OR G Eigenvalues:    -1.5530     0.0787     1.2189  Iso=     0.0851
 Eigenvectors:
   (1)  -0.064495   0.743276   0.665868
   (2)   0.942906   0.263874  -0.203222
   (3)   0.326755  -0.614744   0.717858
 w=    0.088559 a.u., Optical Rotation Beta=      0.0851 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =       41.09 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   21115 ScalPx= 4.40D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.03D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.38D-14 2.78D-09 XBig12= 1.00D+00 3.51D-01.
     30 vectors produced by pass  1 Test12= 1.38D-14 2.78D-09 XBig12= 6.83D-02 5.17D-02.
     30 vectors produced by pass  2 Test12= 1.38D-14 2.78D-09 XBig12= 1.41D-03 5.63D-03.
     30 vectors produced by pass  3 Test12= 1.38D-14 2.78D-09 XBig12= 3.44D-05 7.80D-04.
     30 vectors produced by pass  4 Test12= 1.38D-14 2.78D-09 XBig12= 4.41D-07 7.53D-05.
     30 vectors produced by pass  5 Test12= 1.38D-14 2.78D-09 XBig12= 4.60D-09 7.24D-06.
     30 vectors produced by pass  6 Test12= 1.38D-14 2.78D-09 XBig12= 3.71D-11 5.88D-07.
     30 vectors produced by pass  7 Test12= 1.38D-14 2.78D-09 XBig12= 2.79D-13 4.89D-08.
      1 vectors produced by pass  8 Test12= 1.38D-14 2.78D-09 XBig12= 1.90D-15 3.64D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.67D-15
 Solved reduced A of dimension   241 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 2.04D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   21115 ScalPx= 2.04D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   21115 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.02D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.644015D+02 -0.285672D+01 -0.336259D+00
      2  -0.285672D+01  0.638550D+02  0.240569D+00
      3  -0.336259D+00  0.240569D+00  0.478289D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.117774D+01 -0.208773D+01 -0.132340D+02
      2   0.805366D+00  0.208281D+01  0.824332D+01
      3   0.990489D+01  0.377422D+01 -0.116052D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.154059D+01 -0.176167D+02 -0.324277D+01
      2   0.337487D+01  0.267210D+02 -0.100401D+01
      3  -0.183428D+01 -0.910424D+01  0.424678D+01
      4   0.174988D+02  0.697126D+01  0.482672D+01
      5   0.293451D+01  0.375668D+01  0.153113D+02
      6   0.171769D+01  0.140204D+01  0.299693D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.336669D+01  0.515319D+00  0.182298D+01 -0.813371D+00 -0.450249D+01
      2   0.515319D+00 -0.242733D+01  0.470088D+00 -0.450249D+01 -0.408576D+01
      3   0.182298D+01  0.470088D+00  0.207758D+01 -0.812582D-01  0.853267D+00
                 6             7             8             9            10 
      1  -0.812582D-01  0.252145D+01  0.923213D-01  0.116722D+01 -0.399351D+01
      2   0.853267D+00  0.923213D-01  0.110189D+01 -0.838364D+00 -0.159209D+00
      3  -0.522939D+00  0.116722D+01 -0.838364D+00 -0.846629D+01 -0.139378D+01
                11            12            13            14            15 
      1  -0.159209D+00 -0.139378D+01 -0.781470D+00  0.324949D+01  0.148495D+00
      2   0.259296D+01  0.671140D-01  0.324949D+01  0.152267D+01 -0.238429D+00
      3   0.671140D-01 -0.129771D+01  0.148495D+00 -0.238429D+00  0.366407D+00
                16            17            18            19            20 
      1  -0.225889D+01  0.263578D+00 -0.127838D+01  0.864058D-02  0.140864D+00
      2   0.263578D+00 -0.366524D-01 -0.355747D+00  0.140864D+00 -0.425358D+01
      3  -0.127838D+01 -0.355747D+00  0.665564D+01  0.970860D-01  0.234900D-01
                21            22            23            24            25 
      1   0.970860D-01  0.277337D+01 -0.331116D+01 -0.126420D-01 -0.331438D+00
      2   0.234900D-01 -0.331116D+01  0.288892D+01 -0.335194D+00 -0.159739D+00
      3  -0.681307D+00 -0.126420D-01 -0.335194D+00  0.252411D+00 -0.419586D+00
                26            27            28            29            30 
      1  -0.159739D+00 -0.419586D+00 -0.691483D+01 -0.874470D+00  0.247117D+00
      2   0.119741D+00  0.680465D-01 -0.874470D+00  0.170088D+00 -0.305795D-01
      3   0.680465D-01 -0.633933D+00  0.247117D+00 -0.305795D-01 -0.102400D+01
                31            32            33            34            35 
      1  -0.352726D+01 -0.221612D+01  0.114114D+00  0.937708D+00  0.364429D+00
      2  -0.221612D+01 -0.533698D+01  0.283299D+00  0.364429D+00  0.443405D+00
      3   0.114114D+00  0.283299D+00 -0.221751D+00 -0.210689D+01 -0.134863D-01
                36            37            38            39            40 
      1  -0.210689D+01  0.746653D+01 -0.208384D+01 -0.110979D+01  0.879202D+00
      2  -0.134863D-01 -0.208384D+01  0.287878D+01  0.120915D-01  0.419073D+01
      3   0.506201D+00 -0.110979D+01  0.120915D-01  0.356680D+00 -0.884062D-01
                41            42            43            44            45 
      1   0.419073D+01 -0.884062D-01 -0.161512D+01  0.503821D+00  0.134956D+01
      2   0.787274D+00 -0.307598D+00  0.503821D+00 -0.811215D+00 -0.730825D+00
      3  -0.307598D+00  0.939667D+00  0.134956D+01 -0.730825D+00 -0.299672D+00
                46            47            48            49            50 
      1  -0.230026D+01  0.248279D+01  0.597866D+00  0.204633D+01 -0.285857D+01
      2   0.248279D+01 -0.342561D+01  0.211289D+00 -0.285857D+01 -0.187129D+01
      3   0.597866D+00  0.211289D+00 -0.875434D+00  0.268382D+00  0.934799D+00
                51            52            53            54            55 
      1   0.268382D+00  0.477283D+00  0.271165D+00 -0.908771D+00  0.456775D+01
      2   0.934799D+00  0.271165D+00  0.113400D+01 -0.223299D+01 -0.258305D+01
      3  -0.219297D+01 -0.908771D+00 -0.223299D+01 -0.328470D+01  0.155805D+00
                56            57            58            59            60 
      1  -0.258305D+01  0.155805D+00 -0.460748D+01  0.255219D+01 -0.240124D-01
      2   0.238430D+01 -0.106804D+00  0.255219D+01 -0.118099D+02  0.344054D+00
      3  -0.106804D+00  0.119162D+01 -0.240124D-01  0.344054D+00 -0.201247D+01
                61            62            63            64            65 
      1   0.399578D+00 -0.164044D+00  0.102955D+01  0.136906D+01  0.281834D+00
      2  -0.164044D+00  0.527488D+00 -0.285813D+01  0.281834D+00 -0.169645D+00
      3   0.102955D+01 -0.285813D+01  0.644573D+00 -0.108299D+01  0.222953D-01
                66            67            68            69            70 
      1  -0.108299D+01  0.158138D+00 -0.506094D+00 -0.936254D-02 -0.133315D+01
      2   0.222953D-01 -0.506094D+00  0.217549D+00 -0.110166D+01 -0.389352D-01
      3   0.107551D+01 -0.936254D-02 -0.110166D+01  0.162369D+00  0.687346D+00
                71            72            73            74            75 
      1  -0.389352D-01  0.687346D+00  0.302914D+01  0.217125D+01 -0.522990D+00
      2  -0.176632D+01  0.664931D+00  0.217125D+01  0.241045D+01 -0.140753D+00
      3   0.664931D+00 -0.830372D+01 -0.522990D+00 -0.140753D+00  0.545517D+00
                76            77            78            79            80 
      1   0.302423D+01  0.320681D+01 -0.346345D-01 -0.107229D+01 -0.373754D+00
      2   0.320681D+01  0.676123D+01 -0.524372D+00 -0.373754D+00 -0.120319D+01
      3  -0.346345D-01 -0.524372D+00  0.885556D+00  0.664223D+00  0.108310D+01
                81            82            83            84            85 
      1   0.664223D+00 -0.673507D+00  0.147287D+00  0.115677D+01 -0.324089D+00
      2   0.108310D+01  0.147287D+00  0.106468D+00 -0.277707D+00  0.436354D+00
      3   0.257123D+00  0.115677D+01 -0.277707D+00 -0.113005D+01 -0.835082D-01
                86            87            88            89            90 
      1   0.436354D+00 -0.835082D-01  0.163330D+01 -0.294860D+00  0.194950D+00
      2   0.349440D+00  0.116123D+01 -0.294860D+00  0.135220D+01  0.793886D+00
      3   0.116123D+01 -0.232688D+00  0.194950D+00  0.793886D+00  0.946899D+01
                91            92            93            94            95 
      1  -0.270457D+01  0.881833D+00 -0.125439D+00  0.345909D+01  0.342400D+00
      2   0.881833D+00 -0.589439D+00 -0.129622D-01  0.342400D+00  0.541008D+01
      3  -0.125439D+00 -0.129622D-01 -0.802119D+00 -0.203418D+00 -0.169420D+00
                96            97            98            99           100 
      1  -0.203418D+00 -0.282175D+00 -0.108568D+00 -0.751503D+00 -0.412221D+00
      2  -0.169420D+00 -0.108568D+00 -0.403648D+00  0.667865D-01 -0.463518D-01
      3   0.415319D+00 -0.751503D+00  0.667865D-01 -0.704729D-02  0.244018D+00
               101           102           103           104           105 
      1  -0.463518D-01  0.244018D+00  0.850563D-01 -0.908723D-01 -0.407064D-01
      2   0.382613D+00  0.212001D+00 -0.908723D-01  0.214169D+01  0.141867D+01
      3   0.212001D+00  0.363675D+00 -0.407064D-01  0.141867D+01  0.147204D+01
               106           107           108           109           110 
      1   0.131376D+01 -0.288421D+00 -0.652228D-01 -0.312339D+00  0.302718D+00
      2  -0.288421D+00  0.281729D+01  0.263160D+01  0.302718D+00  0.884387D+00
      3  -0.652228D-01  0.263160D+01  0.555684D+01 -0.257531D+00 -0.313524D+00
               111           112           113           114           115 
      1  -0.257531D+00  0.836852D+00  0.817264D-01 -0.703402D-01 -0.874223D+00
      2  -0.313524D+00  0.817264D-01  0.734976D+01 -0.213698D+01 -0.184453D+00
      3   0.371292D+00 -0.703402D-01 -0.213698D+01  0.181532D+01  0.972703D-01
               116           117           118           119           120 
      1  -0.184453D+00  0.972703D-01 -0.249658D+01 -0.117697D+01  0.170866D+00
      2  -0.360807D+01  0.218799D+01 -0.117697D+01 -0.944432D+00 -0.136039D+00
      3   0.218799D+01 -0.187463D+01  0.170866D+00 -0.136039D+00 -0.171248D+00
               121           122           123           124           125 
      1  -0.320860D+01 -0.574397D+00  0.117297D+00  0.484197D+00  0.117460D+00
      2  -0.574397D+00 -0.432469D+01 -0.181663D+00  0.117460D+00  0.333084D+00
      3   0.117297D+00 -0.181663D+00 -0.112625D+01  0.340238D+00 -0.466803D+00
               126 
      1   0.340238D+00
      2  -0.466803D+00
      3  -0.219390D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.257792D+01 -0.248908D+01 -0.312320D+01 -0.236614D+01 -0.312378D+01
      2   0.406023D+01  0.102838D+01  0.357092D+01 -0.287988D-01  0.250759D+01
      3   0.498700D+01  0.392102D+01  0.111951D+01  0.102141D+02  0.127623D+01
                 6             7             8             9            10 
      1   0.529000D-01 -0.143359D+01  0.231366D+01  0.826754D+01  0.167593D+01
      2   0.686455D+00 -0.210831D+01 -0.110536D+01 -0.103184D+02 -0.115488D+01
      3  -0.157341D+01  0.197527D+01 -0.137389D+01  0.258612D+01 -0.324988D+01
                11            12            13            14            15 
      1  -0.583865D+00 -0.458024D+00 -0.253655D+01  0.466768D+00 -0.304254D+01
      2  -0.714781D+00  0.154035D+01  0.193810D+01  0.720190D+00  0.272757D+01
      3  -0.470714D+01 -0.132385D+01  0.123870D+01 -0.187707D+01  0.635255D+00
                16            17            18            19            20 
      1   0.582916D+00  0.370808D+01 -0.168683D+01  0.170521D+00  0.141048D+01
      2  -0.460560D+01  0.133813D+01  0.612783D+00 -0.517935D+00 -0.197268D+01
      3  -0.350560D+01  0.319267D+00 -0.774770D+00  0.131485D+01 -0.587261D+01
                21            22            23            24            25 
      1  -0.180137D+01  0.225022D+01  0.274597D+01  0.837829D+01  0.310906D+01
      2  -0.600606D+01 -0.245998D+01  0.419634D+00  0.259791D+00 -0.130277D+02
      3   0.151964D+01 -0.616079D+01  0.232588D+01 -0.109023D+01  0.345858D+01
                26            27            28            29            30 
      1   0.128559D+02 -0.240791D+01  0.544894D+00  0.923151D-02 -0.199567D+00
      2  -0.489525D+01  0.200375D+01 -0.122004D+01 -0.380399D+00  0.801723D+01
      3  -0.835121D+00  0.936992D+00  0.339621D+01 -0.484608D+01 -0.298352D+00
                31            32            33            34            35 
      1  -0.732871D+00 -0.113860D+01 -0.351103D+01 -0.306366D+01 -0.919571D-01
      2   0.104055D+01 -0.485587D+00  0.242236D+01  0.306998D+01  0.328367D+01
      3  -0.443096D+00 -0.197875D+02  0.911030D+00 -0.454938D+00  0.226290D+01
                36            37            38            39            40 
      1   0.690527D+00 -0.720691D-01 -0.141762D+00  0.303985D+01  0.185508D+00
      2  -0.172526D+01 -0.227905D+01  0.131976D+01  0.572438D+01 -0.555842D-01
      3   0.142172D+01 -0.304302D+01 -0.166402D+02 -0.100622D+01 -0.107804D+02
                41            42            43            44            45 
      1  -0.115991D+01 -0.434980D+01 -0.238719D+00  0.373722D+01 -0.148881D+01
      2  -0.883422D+00 -0.415879D+00 -0.990783D-01 -0.115497D+01 -0.186247D+01
      3  -0.454943D+01  0.987446D+00  0.289370D+00  0.276679D+01  0.158318D+01
                46            47            48            49            50 
      1  -0.118904D+01  0.204806D+00  0.233627D+01  0.473994D+00 -0.463826D+01
      2  -0.109612D+01  0.141212D+01  0.645573D+01 -0.230728D+00 -0.225425D+01
      3  -0.121438D+00 -0.566568D+01  0.788519D+00  0.590019D+01 -0.863438D+01
                51            52            53            54            55 
      1   0.725306D+00  0.155949D+01  0.971459D+01  0.574034D+01 -0.151467D+00
      2   0.208827D+01 -0.163743D+01  0.384594D+01  0.408134D+01  0.251632D+00
      3   0.150805D+01  0.133080D+01  0.231467D+01 -0.526496D+01 -0.877760D+01
                56            57            58            59            60 
      1  -0.590932D+00  0.192447D+01  0.299484D+00  0.774421D+00 -0.111113D+02
      2   0.811213D+00  0.387600D+01 -0.778224D-01 -0.831788D+00 -0.110638D+01
      3   0.981206D+00 -0.603795D+00  0.166508D+02 -0.747021D+01  0.400690D+00
                61            62            63            64            65 
      1  -0.773857D+00 -0.153295D+01  0.179875D+01  0.502114D+00 -0.279251D+00
      2  -0.230625D+01  0.382160D+01 -0.585334D+00  0.119603D+01  0.210177D+00
      3  -0.241557D+01 -0.239254D+00 -0.362090D+01  0.763849D+00 -0.418024D+00
                66            67            68            69            70 
      1  -0.340887D+00  0.189988D+00 -0.174436D+00  0.586518D-01 -0.607166D+00
      2   0.813363D+00 -0.414560D-01 -0.130293D+00 -0.288994D+00 -0.220614D+01
      3  -0.803619D+00  0.138588D+01 -0.224849D+00  0.109872D+00 -0.714999D+00
                71            72            73            74            75 
      1   0.256200D+01  0.432130D+01  0.164454D+01  0.145630D+01 -0.125420D+01
      2   0.413049D+00 -0.556607D+00 -0.134762D+01 -0.863639D+00  0.195380D+01
      3   0.244413D+00  0.214190D+00  0.153282D+00 -0.308461D+01 -0.342161D+00
                76            77            78            79            80 
      1   0.119562D+01  0.321008D+01 -0.322285D+01 -0.672460D+00 -0.528571D+00
      2  -0.489562D+00 -0.146867D+01  0.218484D+01  0.306082D+00  0.151684D+01
      3   0.238662D+00 -0.852106D+01  0.100551D+01 -0.113553D+01  0.166544D+01
                81            82            83            84            85 
      1   0.268958D+00 -0.674645D+00 -0.104814D+00  0.712245D+00  0.794879D-01
      2   0.995512D-01  0.256900D+01 -0.682053D+00 -0.113497D+01 -0.493435D-01
      3  -0.965505D+00 -0.128234D+01 -0.701977D+00  0.123337D+01 -0.758225D-01
                86            87            88            89            90 
      1  -0.818366D+00  0.365309D+00 -0.312729D+00  0.343267D+01 -0.767958D+01
      2   0.162533D+01 -0.185714D+00 -0.433833D+01  0.148485D+01  0.133022D+02
      3   0.931375D-02 -0.152680D+01  0.172340D+01 -0.229016D+01 -0.154170D+01
                91            92            93            94            95 
      1   0.331594D+00  0.226730D+00  0.114520D+01  0.195095D+00  0.133994D+01
      2   0.498769D-01 -0.111692D+00  0.101397D+01 -0.227724D+00  0.252683D+00
      3  -0.289403D+00 -0.223436D+01 -0.246646D+00  0.769598D+00  0.222863D+02
                96            97            98            99           100 
      1   0.127827D+01  0.591666D+00  0.254579D+01 -0.529279D-01 -0.504299D+00
      2  -0.216729D+01 -0.414231D+00 -0.103366D+01  0.322894D+00 -0.105534D+01
      3  -0.645978D+00  0.596366D-01 -0.163052D+01 -0.528528D+00 -0.770255D+00
               101           102           103           104           105 
      1   0.157443D+00 -0.960942D+00  0.310298D+00 -0.223025D+01 -0.385098D+01
      2  -0.151621D+00 -0.540327D+00 -0.365976D-02 -0.174232D+01 -0.190300D+01
      3  -0.640508D+00  0.492332D+00  0.591660D+00  0.202881D+01  0.130598D+01
               106           107           108           109           110 
      1  -0.264016D+00 -0.363752D+01 -0.111403D+02  0.279182D-01  0.426174D+00
      2  -0.260672D+01 -0.293971D+01 -0.626211D+01  0.442773D+00  0.501162D+00
      3   0.316597D+01  0.224846D+01  0.298054D+01 -0.324990D+00  0.656804D+00
               111           112           113           114           115 
      1  -0.109738D+01 -0.159721D-01  0.360558D+01 -0.470579D+01 -0.302452D+00
      2  -0.394881D+00  0.758016D+00  0.279693D+01 -0.197124D+01 -0.128305D+01
      3  -0.744202D+00  0.375739D+01  0.782232D+01 -0.246602D+01 -0.299543D+01
               116           117           118           119           120 
      1  -0.323265D+01  0.374278D+01  0.271933D+00  0.298539D+00  0.775393D-01
      2  -0.259115D+01  0.150892D+01 -0.667798D-01 -0.285566D+00 -0.966701D+00
      3  -0.445905D+01  0.264082D+01  0.867369D+01  0.732237D+01  0.965542D-01
               121           122           123           124           125 
      1   0.640061D+00  0.102045D+01 -0.987254D+00  0.395577D+00  0.835517D-01
      2  -0.720084D-01 -0.526030D+00 -0.233080D+01 -0.940958D+00 -0.554590D+00
      3   0.891082D+01  0.138862D+02  0.271168D+00 -0.780963D+00 -0.993950D+00
               126 
      1  -0.254943D+00
      2  -0.453850D+00
      3   0.332803D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.158962D+00  0.975158D+00 -0.663797D+00  0.541049D+01 -0.494126D+01
      2  -0.433137D+01 -0.509104D+01 -0.406697D+01 -0.957495D+01 -0.984795D+01
      3   0.449033D+01  0.411588D+01  0.473076D+01  0.416445D+01  0.147892D+02
      4   0.235757D+01 -0.119213D+02  0.447188D+01 -0.184147D+02 -0.194931D+02
      5   0.749498D+01  0.754096D+00  0.204638D+01 -0.209712D+01  0.247228D+01
      6   0.331090D+01  0.259687D+01  0.568561D+01 -0.474695D+00 -0.435720D+00
                 6             7             8             9            10 
      1   0.140642D+01  0.562915D+01  0.152682D+01  0.156413D+02 -0.552193D+01
      2   0.375910D+01 -0.382841D+01  0.159974D+01  0.684788D+01  0.431566D+01
      3  -0.516553D+01 -0.180073D+01 -0.312657D+01 -0.224892D+02  0.120627D+01
      4   0.215614D+01  0.140761D+01  0.407614D+01 -0.238316D+01 -0.151911D+01
      5   0.198422D+01  0.229822D+01 -0.151964D+01 -0.170283D+02 -0.235753D+01
      6  -0.333258D+01  0.206884D+01 -0.643938D+00 -0.980295D+01 -0.247965D+01
                11            12            13            14            15 
      1  -0.565015D+01 -0.147121D+01  0.251475D+01 -0.489858D+00  0.149983D+01
      2   0.982223D+01  0.345238D+00  0.172028D+01  0.414419D+00 -0.359891D+00
      3  -0.417208D+01  0.112597D+01 -0.423503D+01  0.754390D-01 -0.113994D+01
      4  -0.256768D+01 -0.284092D+01 -0.500026D+01  0.732570D+01  0.796642D+00
      5  -0.565378D+00 -0.121234D+01  0.900524D+00  0.108845D+01  0.275632D+01
      6  -0.586647D+00 -0.110203D+01 -0.587505D-01 -0.442625D+00 -0.126780D+00
                16            17            18            19            20 
      1  -0.126002D+01 -0.566699D+00  0.594776D+01 -0.124930D+02 -0.778111D+01
      2  -0.870704D+00 -0.450475D+01  0.100271D+02  0.644343D+01  0.106949D+02
      3   0.213072D+01  0.507145D+01 -0.159749D+02  0.604956D+01 -0.291382D+01
      4  -0.452698D+01  0.128406D+00 -0.217725D+01  0.881340D+00 -0.150510D+01
      5  -0.109108D+01 -0.940942D+00  0.538096D+01  0.119888D+01 -0.979360D+00
      6  -0.270762D+01  0.552635D-01  0.817483D+01  0.276008D+00 -0.397307D+00
                21            22            23            24            25 
      1   0.670496D+00  0.662191D+00  0.211938D+02 -0.207955D+01  0.102848D+01
      2  -0.148219D+01  0.105302D+01 -0.296924D+02 -0.433858D+00 -0.138734D+01
      3   0.811690D+00 -0.171521D+01  0.849862D+01  0.251341D+01  0.358857D+00
      4  -0.239144D+00 -0.908636D+01  0.456858D+01 -0.233856D+00  0.297006D+01
      5  -0.972916D+01 -0.295757D+00 -0.106818D+01  0.234515D+01  0.321811D+01
      6   0.425459D+01 -0.278623D+00 -0.297440D+00 -0.982830D+01 -0.258780D+00
                26            27            28            29            30 
      1  -0.424139D+01 -0.365102D+01  0.426618D+02  0.390046D+01 -0.120696D+01
      2   0.374208D+01 -0.729778D+01 -0.255894D+02 -0.197362D+01  0.131463D+01
      3   0.499306D+00  0.109488D+02 -0.170724D+02 -0.192684D+01 -0.107662D+00
      4   0.842124D+00  0.806729D+00  0.113453D+02  0.893558D+01  0.599942D+00
      5  -0.135989D+01  0.194865D+01 -0.195278D+01  0.681534D+00  0.156878D+02
      6   0.193762D+01  0.251979D+01  0.504180D+00  0.505671D+00  0.836577D+00
                31            32            33            34            35 
      1   0.120117D+02  0.528923D+01  0.387091D+00 -0.185640D+01  0.655073D+00
      2  -0.721052D+01 -0.735790D+00  0.168763D-01  0.205381D+01  0.346992D+00
      3  -0.480115D+01 -0.455344D+01 -0.403967D+00 -0.197407D+00 -0.100207D+01
      4   0.154586D+02  0.162428D+02 -0.919237D+00 -0.523339D+00 -0.138864D+01
      5   0.103673D-01 -0.136575D+01  0.269876D+01  0.144856D+02  0.949267D+00
      6  -0.254241D+00 -0.575989D+00  0.609958D+01  0.383326D+01  0.464921D+01
                36            37            38            39            40 
      1   0.526614D+01  0.423025D+02 -0.547851D+01 -0.224333D+01 -0.227347D+01
      2  -0.795864D+01 -0.256916D+02  0.775254D-03  0.393500D+01 -0.378269D+00
      3   0.269250D+01 -0.166109D+02  0.547774D+01 -0.169168D+01  0.265174D+01
      4   0.363560D+01 -0.114683D+02  0.156484D+02 -0.172104D+00  0.173728D+02
      5  -0.319596D+01 -0.562956D+01  0.435895D+00  0.107569D+02  0.918356D+00
      6  -0.847480D+00 -0.332635D+00 -0.679157D+00 -0.375500D+01  0.417782D-01
                41            42            43            44            45 
      1   0.105768D+02 -0.319922D+01 -0.678435D+01  0.392928D+00  0.172242D+01
      2  -0.247551D+01 -0.850558D+00  0.508742D+01  0.713800D+00 -0.789119D+01
      3  -0.810126D+01  0.404978D+01  0.169694D+01 -0.110673D+01  0.616877D+01
      4   0.317116D-01 -0.155879D+01  0.261692D+01 -0.301363D+01 -0.293977D+01
      5  -0.235179D+01 -0.915500D+00  0.125576D+02 -0.465047D+01 -0.405245D+01
      6   0.169845D+01  0.795570D+01 -0.196403D+01  0.466278D+01  0.219981D+01
                46            47            48            49            50 
      1   0.468235D+01  0.721993D+01 -0.143829D+01  0.562557D+00  0.925202D+01
      2   0.445117D+01 -0.133531D+02  0.134784D+01 -0.612241D+01 -0.791035D+01
      3  -0.913353D+01  0.613314D+01  0.904524D-01  0.555985D+01 -0.134167D+01
      4  -0.570691D+01  0.172639D+02  0.193355D+01  0.167333D+02 -0.768523D+01
      5  -0.521558D+00  0.725986D+00  0.725922D+01 -0.336698D+00 -0.248672D+01
      6   0.176888D+01  0.149956D+01 -0.523175D+01  0.850854D+00  0.720479D+01
                51            52            53            54            55 
      1  -0.201324D+01 -0.202265D+01 -0.258898D+01  0.102211D+02 -0.920657D+00
      2   0.621498D+01  0.133316D+01  0.808066D+01 -0.121186D+02  0.548505D+01
      3  -0.420174D+01  0.689485D+00 -0.549168D+01  0.189753D+01 -0.456439D+01
      4  -0.115683D+01  0.896822D+00 -0.189303D+01 -0.165613D+01 -0.671364D+01
      5   0.162396D+01  0.640549D+01  0.373886D+01  0.416729D+01  0.128244D+00
      6  -0.656620D+01 -0.351272D+01 -0.981858D+01 -0.118488D+02 -0.471705D+00
                56            57            58            59            60 
      1   0.694530D+01 -0.654484D+00  0.723476D+01 -0.381226D+02  0.871950D+00
      2  -0.993496D+01  0.338009D+00 -0.850482D+01  0.566062D+02 -0.222772D+00
      3   0.298966D+01  0.316475D+00  0.127006D+01 -0.184836D+02 -0.649178D+00
      4   0.138083D+02 -0.640114D+00  0.161798D+02  0.107652D+01  0.105653D+00
      5  -0.306657D+00  0.590770D+01 -0.352003D+00  0.605102D+00 -0.793621D+00
      6   0.454790D+00 -0.395523D+01  0.434947D+00 -0.150365D+00  0.176283D+02
                61            62            63            64            65 
      1  -0.219563D+00  0.269104D+01 -0.997057D+01  0.781232D+00  0.770810D+00
      2   0.501253D+00 -0.197500D+01  0.731324D+01 -0.428760D+01 -0.994960D+00
      3  -0.281690D+00 -0.716041D+00  0.265733D+01  0.350637D+01  0.224151D+00
      4  -0.139048D+01 -0.426020D-01  0.214091D+00  0.110291D+01  0.197183D+01
      5   0.346871D+01  0.250101D+01 -0.739965D-01 -0.138604D+01 -0.298392D+00
      6  -0.334827D+01  0.159003D+02 -0.265318D+01 -0.156553D+01 -0.488313D+00
                66            67            68            69            70 
      1   0.596852D+00  0.116656D+00 -0.321243D+01  0.561007D+00  0.461294D+00
      2   0.149676D+01  0.379505D+00  0.251461D+00 -0.154095D+01  0.235431D+01
      3  -0.209361D+01 -0.496161D+00  0.296097D+01  0.979943D+00 -0.281560D+01
      4  -0.128018D+01  0.210556D+01  0.237257D+00 -0.516920D+00 -0.121988D+01
      5   0.648302D+01 -0.139556D+00 -0.125705D+01 -0.278673D+00  0.472956D+01
      6   0.120978D+01 -0.823838D+00 -0.126062D+01  0.606450D+01  0.122099D+01
                71            72            73            74            75 
      1   0.254215D+01 -0.157193D+02  0.110440D+02  0.575180D+01 -0.153121D+01
      2  -0.429076D+00 -0.160460D+02 -0.602021D+00  0.228095D+01  0.662586D-01
      3  -0.211307D+01  0.317654D+02 -0.104420D+02 -0.803275D+01  0.146496D+01
      4   0.385861D+00  0.110266D+01  0.160436D+02  0.159220D+02 -0.137671D+01
      5   0.709190D+00 -0.441161D+01 -0.843983D+00  0.864073D-02  0.320896D+01
      6   0.517636D+01 -0.109322D+02 -0.524860D+00 -0.676323D-01  0.187950D+01
                76            77            78            79            80 
      1   0.535433D+01 -0.287211D+01  0.477852D+00 -0.279152D+01  0.646880D+00
      2   0.468096D+01  0.202745D+02 -0.200284D+01  0.671740D+00 -0.303357D+01
      3  -0.100353D+02 -0.174024D+02  0.152499D+01  0.211978D+01  0.238669D+01
      4   0.193398D+02  0.305828D+02 -0.216295D+01 -0.327401D+01 -0.454962D+01
      5   0.460345D+00 -0.990582D+00  0.378425D+01  0.402247D+01  0.448547D+01
      6   0.745844D+00  0.155452D+00  0.445094D+01  0.264105D+01  0.487385D+01
                81            82            83            84            85 
      1  -0.132663D+01 -0.197814D+01  0.103366D+01  0.594143D+01 -0.140269D+01
      2   0.425651D+00 -0.154406D+01  0.467756D+00 -0.162424D+01  0.183121D+01
      3   0.900982D+00  0.352220D+01 -0.150141D+01 -0.431719D+01 -0.428518D+00
      4   0.524589D+01  0.106567D+00  0.263614D+01  0.418165D+00  0.293973D+01
      5  -0.174860D+00  0.230145D+01 -0.164976D+00  0.394934D+01 -0.233371D+00
      6  -0.111544D+01  0.908872D+00 -0.131308D+01 -0.193852D+01  0.169957D+00
                86            87            88            89            90 
      1  -0.197390D+01 -0.127648D+01  0.487975D+01 -0.345756D+01 -0.202601D+02
      2   0.111735D-01  0.203632D+01 -0.284181D+01  0.168027D+01 -0.155971D+02
      3   0.196273D+01 -0.759839D+00 -0.203794D+01  0.177728D+01  0.358573D+02
      4   0.228070D+01  0.276347D+01  0.120158D+01  0.334635D+01  0.355786D+01
      5   0.263602D+01 -0.798929D+00  0.583249D+01  0.200479D+01  0.227882D+02
      6   0.128117D+01  0.574311D+01  0.295557D+00  0.582128D+01  0.108877D+02
                91            92            93            94            95 
      1   0.105398D+02 -0.441795D+01  0.275477D+00 -0.156733D+02 -0.144063D+01
      2  -0.570665D+01  0.226223D+01 -0.193359D+00  0.108121D+02  0.150839D+01
      3  -0.483310D+01  0.215572D+01 -0.821187D-01  0.486126D+01 -0.677552D-01
      4  -0.770276D+01  0.313139D+01 -0.307665D+00 -0.126354D+01 -0.147050D+02
      5   0.315409D+00  0.674474D-01  0.241147D+01  0.521793D+00  0.895537D+00
      6  -0.238163D+00 -0.591310D-01 -0.169885D+01 -0.289456D+00  0.726055D+00
                96            97            98            99           100 
      1   0.319640D+00  0.110785D+01  0.330628D+00  0.162915D+01  0.159458D+01
      2  -0.395413D+00 -0.802890D+00 -0.410743D+00 -0.222809D+01 -0.183830D+01
      3   0.757726D-01 -0.304959D+00  0.801157D-01  0.598942D+00  0.243723D+00
      4   0.186185D+00  0.224045D+00  0.873880D+00 -0.142958D+01 -0.151733D+01
      5  -0.316201D+01  0.391607D+01 -0.735375D+00  0.365027D+00  0.455993D+00
      6  -0.213441D+01 -0.936904D+00  0.643074D+00  0.896287D-01  0.116436D+01
               101           102           103           104           105 
      1  -0.162595D+01 -0.943048D+00 -0.320085D+00 -0.769647D+01 -0.457018D+01
      2   0.186694D+01  0.477410D+00  0.743956D-01  0.104291D+02  0.569474D+01
      3  -0.240992D+00  0.465638D+00  0.245689D+00 -0.273262D+01 -0.112457D+01
      4   0.114757D+01  0.144234D+01  0.191142D+01 -0.190411D+01 -0.132755D+01
      5   0.684225D+00  0.166909D+01  0.397593D+00 -0.153095D+01 -0.230966D+01
      6   0.127422D+01  0.194777D+01 -0.286733D+00  0.785657D+01  0.982981D+01
               106           107           108           109           110 
      1  -0.539224D+00 -0.940985D+01 -0.123124D+02  0.720962D+00 -0.316440D+01
      2  -0.847325D-01  0.959558D+01  0.425115D+01  0.195858D+00  0.483253D+01
      3   0.623956D+00 -0.185733D+00  0.806122D+01 -0.916820D+00 -0.166813D+01
      4   0.423534D+01 -0.236133D+01 -0.133736D+01  0.177449D-01  0.299316D+01
      5   0.177817D+01 -0.340084D+01 -0.712140D+01 -0.276659D+00 -0.778247D+00
      6  -0.163525D+00  0.138717D+02  0.238676D+02 -0.191327D+01 -0.231813D+01
               111           112           113           114           115 
      1   0.131997D+01 -0.147359D+01 -0.225049D+02  0.702594D+01  0.127059D+01
      2  -0.151948D+01  0.757691D+00  0.375652D+02 -0.111770D+02 -0.990772D+00
      3   0.199513D+00  0.715901D+00 -0.150603D+02  0.415103D+01 -0.279817D+00
      4  -0.156191D+01  0.452278D+01 -0.661201D+01  0.188637D+01 -0.249579D+01
      5   0.983449D+00 -0.373005D+00  0.326055D+01 -0.248816D+01  0.103956D+01
      6   0.247018D+01  0.638728D-01 -0.149677D+02  0.109663D+02  0.328989D+00
               116           117           118           119           120 
      1   0.114213D+02 -0.841197D+01 -0.738593D+01 -0.228800D+01  0.899757D+00
      2  -0.155885D+02  0.859741D+01  0.576549D+01  0.102380D+01 -0.210732D+00
      3   0.416717D+01 -0.185434D+00  0.162044D+01  0.126420D+01 -0.689025D+00
      4   0.276846D+01 -0.134382D+01 -0.836032D-01 -0.360916D+01 -0.206560D+00
      5  -0.308940D+01  0.208214D+01  0.736896D+00 -0.242456D-01 -0.159295D+01
      6   0.139586D+02 -0.104944D+02 -0.407384D+00 -0.421724D+00 -0.602619D+00
               121           122           123           124           125 
      1  -0.108197D+02 -0.562773D+01  0.428563D+00  0.132079D+01 -0.102739D+00
      2   0.667286D+01  0.874172D+01 -0.418019D+00 -0.970864D+00  0.221112D-01
      3   0.414689D+01 -0.311399D+01 -0.105443D-01 -0.349929D+00  0.806277D-01
      4   0.160259D+01 -0.148034D+02 -0.354589D+00 -0.121897D+00  0.827633D+00
      5   0.618531D+00  0.930809D-01 -0.444612D+01  0.174048D+01 -0.154876D+01
      6  -0.177175D+00 -0.551437D+00  0.107896D+01 -0.353550D+00  0.276747D+01
               126 
      1  -0.661785D+00
      2  -0.210898D+00
      3   0.872682D+00
      4  -0.129575D+01
      5  -0.101002D+01
      6   0.195756D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:37:22 2021, MaxMem=  5368709120 cpu:            2760.7 elap:             346.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51584 -19.46784 -19.46294 -14.65375 -10.59290
 Alpha  occ. eigenvalues --  -10.51090 -10.50725  -1.25108  -1.16455  -1.14908
 Alpha  occ. eigenvalues --   -1.06530  -0.88702  -0.79967  -0.74511  -0.69718
 Alpha  occ. eigenvalues --   -0.65240  -0.63316  -0.61693  -0.59175  -0.57881
 Alpha  occ. eigenvalues --   -0.56063  -0.51893  -0.50914  -0.47487  -0.45019
 Alpha  occ. eigenvalues --   -0.44317  -0.40356  -0.38278
 Alpha virt. eigenvalues --    0.02986   0.05180   0.06118   0.06479   0.08323
 Alpha virt. eigenvalues --    0.09254   0.10790   0.11007   0.11281   0.12094
 Alpha virt. eigenvalues --    0.15157   0.15772   0.16274   0.17297   0.17965
 Alpha virt. eigenvalues --    0.18836   0.19215   0.20978   0.22293   0.23691
 Alpha virt. eigenvalues --    0.24232   0.24577   0.26054   0.28124   0.29365
 Alpha virt. eigenvalues --    0.29536   0.30286   0.31338   0.32373   0.32944
 Alpha virt. eigenvalues --    0.33864   0.35018   0.36251   0.37261   0.37767
 Alpha virt. eigenvalues --    0.38355   0.39162   0.39574   0.40294   0.41055
 Alpha virt. eigenvalues --    0.42184   0.42620   0.43521   0.43577   0.45172
 Alpha virt. eigenvalues --    0.46407   0.47329   0.49186   0.50403   0.50978
 Alpha virt. eigenvalues --    0.52083   0.52579   0.53257   0.54474   0.55198
 Alpha virt. eigenvalues --    0.55629   0.57536   0.58521   0.58908   0.59546
 Alpha virt. eigenvalues --    0.60456   0.61472   0.62484   0.62913   0.64622
 Alpha virt. eigenvalues --    0.64983   0.67123   0.69106   0.70003   0.70940
 Alpha virt. eigenvalues --    0.71653   0.72563   0.73637   0.74927   0.75609
 Alpha virt. eigenvalues --    0.76989   0.77537   0.80823   0.82314   0.83083
 Alpha virt. eigenvalues --    0.84222   0.84794   0.86919   0.87169   0.92837
 Alpha virt. eigenvalues --    0.96849   0.98024   1.00699   1.02043   1.03661
 Alpha virt. eigenvalues --    1.07646   1.08457   1.09255   1.11245   1.14399
 Alpha virt. eigenvalues --    1.16414   1.18543   1.19209   1.22797   1.24687
 Alpha virt. eigenvalues --    1.26719   1.30404   1.36732   1.38499   1.42434
 Alpha virt. eigenvalues --    1.43660   1.49580   1.51381   1.54202   1.57191
 Alpha virt. eigenvalues --    1.59207   1.60426   1.62321   1.66592   1.68510
 Alpha virt. eigenvalues --    1.71624   1.75223   1.79506   1.80332   1.84583
 Alpha virt. eigenvalues --    1.85032   1.87981   1.89640   1.92657   1.94752
 Alpha virt. eigenvalues --    1.96539   1.98733   2.00294   2.01534   2.04240
 Alpha virt. eigenvalues --    2.05276   2.05749   2.08633   2.12151   2.14216
 Alpha virt. eigenvalues --    2.15062   2.16910   2.19073   2.24776   2.25394
 Alpha virt. eigenvalues --    2.27846   2.29271   2.29919   2.35152   2.40045
 Alpha virt. eigenvalues --    2.42254   2.44440   2.48575   2.50744   2.55400
 Alpha virt. eigenvalues --    2.57610   2.61096   2.66263   2.76596   2.89785
 Alpha virt. eigenvalues --    2.92023   2.95635   2.98678   3.02514   3.05405
 Alpha virt. eigenvalues --    3.07674   3.12145   3.13583   3.16859   3.18097
 Alpha virt. eigenvalues --    3.22393   3.25758   3.32474   3.34044   3.42839
 Alpha virt. eigenvalues --    3.53635   3.56773   3.60501   3.66182   3.86626
 Alpha virt. eigenvalues --    3.99255   4.03813
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.313471   0.199631  -0.030774  -0.008873   0.306753  -0.032569
     2  C    0.199631   5.768648  -0.266213  -0.053416  -0.026655   0.137627
     3  C   -0.030774  -0.266213   5.727597   0.191674  -0.056452  -0.163217
     4  O   -0.008873  -0.053416   0.191674   7.886113   0.002285   0.016475
     5  O    0.306753  -0.026655  -0.056452   0.002285   7.831571   0.006776
     6  N   -0.032569   0.137627  -0.163217   0.016475   0.006776   6.894607
     7  O   -0.038436   0.018879   0.362017   0.035552  -0.036888   0.020078
     8  H    0.023332   0.305622   0.018050  -0.006737  -0.007757  -0.000005
     9  H    0.352799   0.007403  -0.002641   0.003544  -0.030298   0.020981
    10  H    0.373262   0.034274   0.029980  -0.012131  -0.030675  -0.027505
    11  H    0.005378  -0.029925   0.120456   0.193227   0.000324  -0.021433
    12  H   -0.019956   0.038615   0.034185  -0.016329  -0.003610   0.242006
    13  H   -0.009113   0.110397  -0.000418   0.001999   0.000387   0.171057
    14  H    0.028643  -0.032148   0.005742   0.002788   0.325137   0.001918
               7          8          9         10         11         12
     1  C   -0.038436   0.023332   0.352799   0.373262   0.005378  -0.019956
     2  C    0.018879   0.305622   0.007403   0.034274  -0.029925   0.038615
     3  C    0.362017   0.018050  -0.002641   0.029980   0.120456   0.034185
     4  O    0.035552  -0.006737   0.003544  -0.012131   0.193227  -0.016329
     5  O   -0.036888  -0.007757  -0.030298  -0.030675   0.000324  -0.003610
     6  N    0.020078  -0.000005   0.020981  -0.027505  -0.021433   0.242006
     7  O    7.924531  -0.008028   0.010819  -0.010528  -0.025093  -0.003917
     8  H   -0.008028   0.635006  -0.043082   0.011732   0.005821   0.008893
     9  H    0.010819  -0.043082   0.887902  -0.070357  -0.001289  -0.003026
    10  H   -0.010528   0.011732  -0.070357   0.845331   0.003010  -0.010842
    11  H   -0.025093   0.005821  -0.001289   0.003010   0.473313  -0.012825
    12  H   -0.003917   0.008893  -0.003026  -0.010842  -0.012825   0.716077
    13  H   -0.001234  -0.041440  -0.005132   0.003568   0.000474  -0.129217
    14  H    0.015552  -0.005675   0.002970  -0.007675  -0.000148   0.000380
              13         14
     1  C   -0.009113   0.028643
     2  C    0.110397  -0.032148
     3  C   -0.000418   0.005742
     4  O    0.001999   0.002788
     5  O    0.000387   0.325137
     6  N    0.171057   0.001918
     7  O   -0.001234   0.015552
     8  H   -0.041440  -0.005675
     9  H   -0.005132   0.002970
    10  H    0.003568  -0.007675
    11  H    0.000474  -0.000148
    12  H   -0.129217   0.000380
    13  H    0.726153  -0.000097
    14  H   -0.000097   0.432297
 Mulliken charges:
               1
     1  C    0.536453
     2  C   -0.212736
     3  C    0.030012
     4  O   -0.236170
     5  O   -0.280898
     6  N   -0.266797
     7  O   -0.263303
     8  H    0.104268
     9  H   -0.130593
    10  H   -0.131445
    11  H    0.288710
    12  H    0.159567
    13  H    0.172615
    14  H    0.230317
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.274415
     2  C   -0.108468
     3  C    0.030012
     4  O    0.052540
     5  O   -0.050582
     6  N    0.065385
     7  O   -0.263303
 Electronic spatial extent (au):  <R**2>=            769.0463
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.9983    Y=              5.2071    Z=              0.1062  Tot=              5.3030
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -51.0390   YY=            -40.8007   ZZ=            -39.5659
   XY=             -2.1826   XZ=              1.4393   YZ=              0.4070
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.2371   YY=              3.0012   ZZ=              4.2360
   XY=             -2.1826   XZ=              1.4393   YZ=              0.4070
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.6008  YYY=             20.7661  ZZZ=              0.1370  XYY=              5.4787
  XXY=              6.0817  XXZ=              2.2796  XZZ=             -1.9005  YZZ=              2.9647
  YYZ=             -1.8240  XYZ=             -1.1819
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -575.5913 YYYY=           -332.6053 ZZZZ=            -64.5413 XXXY=             -5.3920
 XXXZ=              4.7890 YYYX=            -16.4647 YYYZ=             -3.1105 ZZZX=             -0.5293
 ZZZY=              0.4110 XXYY=           -141.9561 XXZZ=            -99.9387 YYZZ=            -63.4420
 XXYZ=              1.4257 YYXZ=             -1.5018 ZZXY=             -2.4298
 N-N= 3.270913727460D+02 E-N=-1.586399410927D+03  KE= 3.943488725118D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:37:22 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-3.90959536D-01 1.94418336D+00 2.27263548D-02
 Polarizability= 6.01322111D+01-2.53901543D+00 6.02053588D+01
                -4.55054546D-01 2.62461669D-01 4.38429111D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.1682    0.1681       -1.4299   -1.4284
 2     -0.1682   -0.1681       -0.1204   -0.1203       -0.2680   -0.2732
 3      1.4299    1.4284        8.2749    8.2863        0.1189    0.1203
 4      0.1204    0.1203        0.0000    0.0000        1.4294    1.4284
 5     -8.0070   -8.0131       -1.4294   -1.4284        0.1674    0.1681
 6     -0.1189   -0.1203       -0.1674   -0.1681        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.5044   -0.5044       -4.2851   -4.2851
 2      0.3609    0.3609       -0.0000    0.0000       -4.2851   -4.2851
 3      0.3609    0.3609       -0.5044   -0.5044       -0.0000    0.0000
 4     -0.5044   -0.5044       -0.3609   -0.3609       -0.8196   -0.8196
 5      4.2851    4.2851       24.8588   24.8588        0.3609    0.3609
 6    -24.0392  -24.0392       -4.2851   -4.2851        0.5044    0.5044
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2080    0.0000       -0.6068   -0.6725        5.5612    5.7134
 2      0.7298    0.6725        0.4529    0.4811        1.0261    1.0929
 3     -5.6009   -5.7134      -33.6311  -33.1451       -0.8116   -0.4811
 4     -0.4518   -0.4811        0.0514    0.0000       -5.7648   -5.7134
 5     32.0658   32.0522        5.7871    5.7134       -0.8600   -0.6725
 6      0.5674    0.4811        0.8824    0.6725        0.0286    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2180    0.0000       -3.1730   -3.3291        1.4044    1.2824
 2      3.1204    3.3291       11.6724   12.0175       -6.7650   -6.5211
 3     -0.7212   -1.2824       -0.2736    0.0344      -12.4119  -12.0175
 4    -12.0106  -12.0175        0.0433    0.0000       -1.1310   -1.2824
 5      7.1065    6.4867        0.9377    1.2824       -3.5967   -3.3291
 6     12.1305   12.0175        3.2866    3.3291       -0.2001    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      5.2464    5.2091       12.3834   12.4705        1.0642    1.5325
 2     -8.4568   -8.3400        8.5746    8.5125        1.3909    1.5325
 3     -8.2967   -8.3400       12.3819   12.4705       -2.6304   -2.2388
 4      3.6776    3.9580       13.2091   13.5491       -8.2016   -8.3581
 5     -3.1716   -3.7712       -2.0452   -1.9379      -14.0954  -13.5491
 6     10.9344   10.2960        3.2872    3.7712       -3.8873   -3.9580
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.7733   -2.0204    0.0008    0.0010    0.0011    6.6203
 Low frequencies ---   69.3773  165.8638  234.5603
 Diagonal vibrational polarizability:
       29.7891697      20.8644254      19.0187297
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     69.3760               165.8634               234.5601
 Red. masses --      6.6043                 2.7109                 4.7811
 Frc consts  --      0.0187                 0.0439                 0.1550
 IR Inten    --      1.9471                 6.5801                10.1830
 RamAct Fr= 1--      0.5067                 0.0433                 0.1859
  Dep-P Fr= 1--      0.7405                 0.7490                 0.3847
  Dep-U Fr= 1--      0.8509                 0.8565                 0.5556
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0015
 Beta2  Fr= 1--      0.0719                 0.0062                 0.0172
 AlphaG Fr= 1--     -0.0010                 0.0000                 0.0020
 Gamma2 Fr= 1--      0.0277                -0.0702                -0.1133
 Delta2 Fr= 1--     -0.0007                -0.0025                -0.0276
 Raman1 Fr= 1--       2.027                  0.173                  0.743
 ROA1   Fr= 1--       2.633                 -6.820                -11.759
 CID1   Fr= 1--       1.299                -39.379                -15.818
 Raman2 Fr= 1--       0.862                  0.074                  0.207
 ROA2   Fr= 1--       0.669                 -1.665                 -2.498
 CID2   Fr= 1--       0.776                -22.444                -12.094
 Raman3 Fr= 1--       1.725                  0.148                  0.413
 ROA3   Fr= 1--       2.633                 -6.820                -11.759
 CID3   Fr= 1--       1.527                -45.978                -28.468
 RC180  Fr= 1--       0.702                  0.713                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.03  -0.04    -0.05  -0.11   0.18     0.05   0.11  -0.15
     2   6    -0.00   0.01   0.09     0.02  -0.05   0.04    -0.01  -0.12  -0.03
     3   6    -0.01   0.01   0.06    -0.04  -0.01   0.02    -0.10  -0.07   0.01
     4   8    -0.06  -0.04  -0.37    -0.03   0.04   0.05    -0.10   0.08  -0.02
     5   8     0.01   0.01  -0.23     0.10   0.15  -0.14     0.26   0.17   0.09
     6   7     0.00  -0.01   0.16     0.02   0.00  -0.13     0.07  -0.09   0.09
     7   8     0.01   0.05   0.37    -0.06  -0.03   0.01    -0.22  -0.13  -0.02
     8   1    -0.09   0.06   0.07     0.17  -0.10   0.06    -0.15  -0.11  -0.05
     9   1     0.03  -0.01  -0.01    -0.13   0.01   0.54    -0.11   0.14  -0.38
    10   1     0.17  -0.13  -0.03    -0.11  -0.52   0.14     0.11   0.34  -0.12
    11   1    -0.09  -0.05  -0.42     0.00   0.04  -0.02     0.02   0.11   0.02
    12   1    -0.19  -0.24   0.26    -0.06   0.09  -0.14     0.13  -0.22   0.13
    13   1     0.21   0.12   0.38     0.09  -0.06  -0.19     0.13  -0.03   0.19
    14   1     0.08  -0.01  -0.06     0.28   0.04  -0.23     0.43   0.08   0.18
                      4                      5                      6
                      A                      A                      A
 Frequencies --    296.7783               332.5034               354.5344
 Red. masses --      1.3119                 3.7641                 2.5452
 Frc consts  --      0.0681                 0.2452                 0.1885
 IR Inten    --     15.4370                18.6141                14.7368
 RamAct Fr= 1--      0.3673                 0.4137                 0.9039
  Dep-P Fr= 1--      0.7194                 0.3924                 0.2832
  Dep-U Fr= 1--      0.8368                 0.5636                 0.4414
 Alpha2 Fr= 1--      0.0002                 0.0031                 0.0097
 Beta2  Fr= 1--      0.0512                 0.0389                 0.0665
 AlphaG Fr= 1--      0.0018                 0.0043                 0.0082
 Gamma2 Fr= 1--     -0.0631                 0.0426                -0.1397
 Delta2 Fr= 1--      0.0195                 0.0086                -0.0651
 Raman1 Fr= 1--       1.469                  1.655                  3.616
 ROA1   Fr= 1--      -5.428                  4.362                -15.492
 CID1   Fr= 1--      -3.694                  2.636                 -4.285
 Raman2 Fr= 1--       0.615                  0.466                  0.798
 ROA2   Fr= 1--      -1.670                  0.953                 -2.831
 CID2   Fr= 1--      -2.716                  2.044                 -3.547
 Raman3 Fr= 1--       1.229                  0.933                  1.596
 ROA3   Fr= 1--      -5.428                  4.362                -15.492
 CID3   Fr= 1--      -4.415                  4.677                 -9.707
 RC180  Fr= 1--       0.674                  0.127                 -0.117
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.04  -0.02     0.08   0.08   0.05     0.11   0.09   0.03
     2   6    -0.01   0.01  -0.08     0.09  -0.01   0.06     0.02   0.01   0.19
     3   6    -0.00   0.03  -0.04     0.08  -0.02   0.01    -0.02  -0.01   0.11
     4   8     0.00   0.00   0.07     0.13   0.23  -0.01    -0.05  -0.11  -0.00
     5   8     0.03  -0.01   0.03    -0.08  -0.01  -0.05    -0.03  -0.01  -0.04
     6   7    -0.01  -0.01  -0.03    -0.20  -0.18  -0.04     0.03   0.10  -0.12
     7   8     0.02   0.05   0.01    -0.07  -0.11  -0.00    -0.04  -0.04  -0.10
     8   1    -0.01   0.05  -0.08     0.16   0.02   0.07     0.03  -0.15   0.19
     9   1    -0.02  -0.03   0.06     0.13   0.04  -0.02     0.09   0.04  -0.23
    10   1    -0.12  -0.08  -0.03     0.17   0.11   0.06     0.35   0.26   0.07
    11   1    -0.08  -0.03  -0.15     0.37   0.28  -0.13    -0.19  -0.16  -0.15
    12   1    -0.42  -0.48   0.18    -0.56  -0.28   0.05    -0.42  -0.01  -0.01
    13   1     0.48   0.24   0.43    -0.18  -0.06   0.12     0.52   0.12   0.05
    14   1     0.05  -0.02   0.00    -0.16   0.04  -0.01    -0.10   0.04   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    419.3471               548.9147               587.2677
 Red. masses --      4.7392                 4.5254                 1.7062
 Frc consts  --      0.4910                 0.8034                 0.3467
 IR Inten    --      3.5656                 4.9516                70.1023
 RamAct Fr= 1--      3.0262                 4.2458                 2.6560
  Dep-P Fr= 1--      0.4919                 0.0998                 0.7383
  Dep-U Fr= 1--      0.6594                 0.1815                 0.8494
 Alpha2 Fr= 1--      0.0155                 0.0744                 0.0005
 Beta2  Fr= 1--      0.3326                 0.1284                 0.3760
 AlphaG Fr= 1--      0.0074                -0.0129                 0.0006
 Gamma2 Fr= 1--      0.0475                 0.5936                -0.3158
 Delta2 Fr= 1--     -0.0718                 0.1159                -0.2951
 Raman1 Fr= 1--      12.105                 16.983                 10.624
 ROA1   Fr= 1--       2.263                 60.692                -39.760
 CID1   Fr= 1--       0.187                  3.574                 -3.742
 Raman2 Fr= 1--       3.991                  1.541                  4.512
 ROA2   Fr= 1--       1.714                 13.318                 -5.218
 CID2   Fr= 1--       0.429                  8.641                 -1.156
 Raman3 Fr= 1--       7.982                  3.083                  9.024
 ROA3   Fr= 1--       2.263                 60.692                -39.760
 CID3   Fr= 1--       0.283                 19.688                 -4.406
 RC180  Fr= 1--       0.319                 -0.637                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.17  -0.12  -0.03    -0.11  -0.03  -0.02    -0.08  -0.06  -0.04
     2   6    -0.04   0.03   0.08    -0.07  -0.23   0.11    -0.09  -0.01   0.05
     3   6    -0.07   0.11   0.03    -0.06   0.03   0.16     0.04  -0.04   0.05
     4   8    -0.11   0.00   0.00    -0.07   0.15  -0.06     0.06   0.06  -0.02
     5   8     0.26  -0.14   0.03    -0.06   0.04   0.01     0.01  -0.01  -0.03
     6   7    -0.25  -0.05  -0.03     0.10  -0.17  -0.02    -0.04   0.11   0.00
     7   8     0.05   0.18  -0.05     0.22   0.15  -0.10     0.05  -0.05  -0.03
     8   1    -0.08   0.02   0.07    -0.14  -0.45   0.10    -0.17  -0.03   0.03
     9   1     0.18  -0.14  -0.08    -0.27   0.02  -0.23    -0.08  -0.06  -0.04
    10   1     0.25  -0.10  -0.02     0.02   0.14   0.01    -0.04  -0.07  -0.04
    11   1    -0.14   0.00   0.03     0.16   0.22  -0.00     0.14   0.08  -0.06
    12   1    -0.34   0.15  -0.08     0.13  -0.16  -0.03    -0.08   0.13   0.00
    13   1    -0.53  -0.10  -0.17     0.28  -0.22  -0.03     0.13   0.06  -0.01
    14   1     0.27  -0.14   0.02    -0.15   0.06  -0.28     0.43  -0.17   0.78
                     10                     11                     12
                      A                      A                      A
 Frequencies --    608.3009               742.7511               809.9999
 Red. masses --      1.8472                 4.6381                 3.3986
 Frc consts  --      0.4027                 1.5076                 1.3138
 IR Inten    --     55.4367                 7.3692                11.9337
 RamAct Fr= 1--      1.3357                 2.3155                 6.2270
  Dep-P Fr= 1--      0.4874                 0.0568                 0.0746
  Dep-U Fr= 1--      0.6554                 0.1076                 0.1388
 Alpha2 Fr= 1--      0.0070                 0.0450                 0.1160
 Beta2  Fr= 1--      0.1459                 0.0415                 0.1441
 AlphaG Fr= 1--     -0.0108                 0.0097                -0.0792
 Gamma2 Fr= 1--      0.0968                -0.2737                 0.1063
 Delta2 Fr= 1--      0.3323                 0.0729                 0.0922
 Raman1 Fr= 1--       5.343                  9.262                 24.908
 ROA1   Fr= 1--      19.930                -23.944                 13.157
 CID1   Fr= 1--       3.730                 -2.585                  0.528
 Raman2 Fr= 1--       1.751                  0.498                  1.729
 ROA2   Fr= 1--      -0.334                 -7.153                  1.814
 CID2   Fr= 1--      -0.191                -14.358                  1.049
 Raman3 Fr= 1--       3.502                  0.996                  3.458
 ROA3   Fr= 1--      19.930                -23.944                 13.157
 CID3   Fr= 1--       5.692                -24.031                  3.804
 RC180  Fr= 1--       0.311                 -0.785                 -0.722
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.04   0.06    -0.05  -0.01  -0.07    -0.10  -0.08  -0.01
     2   6     0.08  -0.02  -0.02     0.05   0.04  -0.08    -0.07  -0.10   0.15
     3   6    -0.03   0.05  -0.08     0.13   0.22   0.36     0.06   0.14  -0.18
     4   8    -0.06  -0.04   0.03     0.13  -0.10  -0.08     0.21  -0.05   0.02
     5   8    -0.08   0.02  -0.06    -0.01   0.01   0.01     0.02   0.01   0.00
     6   7     0.06  -0.12  -0.00     0.01  -0.10  -0.01    -0.02  -0.03   0.02
     7   8    -0.01   0.08  -0.01    -0.18   0.05  -0.10    -0.14   0.10   0.04
     8   1     0.24   0.01   0.01    -0.28  -0.30  -0.13     0.11   0.03   0.17
     9   1     0.04   0.03  -0.00     0.08   0.01   0.33    -0.33  -0.07  -0.46
    10   1     0.12   0.06   0.07    -0.37  -0.26  -0.12     0.22   0.24   0.05
    11   1    -0.13  -0.05   0.04    -0.21  -0.17   0.08    -0.19  -0.16  -0.16
    12   1     0.07  -0.12  -0.01     0.10  -0.19   0.00     0.07   0.18  -0.06
    13   1    -0.11  -0.09  -0.00    -0.14  -0.01   0.07     0.28  -0.22  -0.15
    14   1     0.24  -0.07   0.85     0.07  -0.03   0.16     0.10  -0.05  -0.18
                     13                     14                     15
                      A                      A                      A
 Frequencies --    847.2862               882.8782               996.1278
 Red. masses --      1.2732                 1.2175                 1.4783
 Frc consts  --      0.5385                 0.5591                 0.8642
 IR Inten    --    128.2856                81.4295                14.4389
 RamAct Fr= 1--      0.3335                 1.1878                 2.0941
  Dep-P Fr= 1--      0.5693                 0.4373                 0.3050
  Dep-U Fr= 1--      0.7255                 0.6085                 0.4674
 Alpha2 Fr= 1--      0.0011                 0.0077                 0.0212
 Beta2  Fr= 1--      0.0403                 0.1205                 0.1631
 AlphaG Fr= 1--     -0.0193                 0.0241                -0.0154
 Gamma2 Fr= 1--     -0.0567                -0.7690                -0.4512
 Delta2 Fr= 1--     -0.0442                -0.3420                -0.1947
 Raman1 Fr= 1--       1.334                  4.751                  8.377
 ROA1   Fr= 1--      -6.858                -84.765                -49.543
 CID1   Fr= 1--      -5.141                -17.841                 -5.914
 Raman2 Fr= 1--       0.484                  1.446                  1.958
 ROA2   Fr= 1--      -1.007                -15.719                 -9.270
 CID2   Fr= 1--      -2.082                -10.874                 -4.735
 Raman3 Fr= 1--       0.968                  2.891                  3.915
 ROA3   Fr= 1--      -6.858                -84.765                -49.543
 CID3   Fr= 1--      -7.086                -29.318                -12.654
 RC180  Fr= 1--       0.451                  0.217                 -0.065
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.02   0.03    -0.05  -0.03  -0.02    -0.06  -0.07   0.09
     2   6    -0.00  -0.04  -0.03     0.00   0.03   0.04     0.06  -0.01  -0.09
     3   6     0.00   0.01  -0.01    -0.00   0.00  -0.02     0.01   0.00   0.08
     4   8     0.01  -0.01  -0.04     0.01  -0.02  -0.03    -0.01  -0.00  -0.01
     5   8    -0.00  -0.00  -0.01     0.00   0.00   0.00    -0.00   0.01  -0.02
     6   7    -0.11   0.02  -0.02     0.09  -0.00  -0.03    -0.04   0.06   0.00
     7   8    -0.01   0.01   0.01    -0.01   0.00   0.02     0.01  -0.01  -0.02
     8   1     0.03  -0.09  -0.02    -0.00   0.04   0.04     0.45  -0.08  -0.02
     9   1     0.07   0.01   0.04    -0.09  -0.02  -0.10    -0.15  -0.14  -0.44
    10   1     0.05  -0.01   0.03     0.01   0.05  -0.01     0.24   0.35   0.15
    11   1     0.05   0.06   0.71     0.13   0.07   0.75     0.01  -0.00  -0.05
    12   1     0.42  -0.05  -0.06    -0.52  -0.07   0.07     0.17  -0.18   0.05
    13   1     0.50   0.03   0.14    -0.28   0.08  -0.01    -0.28   0.26   0.18
    14   1    -0.03   0.02   0.03     0.06  -0.03  -0.04     0.19  -0.11  -0.14
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1057.1355              1089.4992              1116.0638
 Red. masses --      2.6144                 5.9180                 2.6208
 Frc consts  --      1.7214                 4.1388                 1.9233
 IR Inten    --     65.2682                96.9360                 6.1435
 RamAct Fr= 1--      2.1870                 2.2568                 1.8945
  Dep-P Fr= 1--      0.6401                 0.6639                 0.7480
  Dep-U Fr= 1--      0.7806                 0.7980                 0.8558
 Alpha2 Fr= 1--      0.0043                 0.0035                 0.0001
 Beta2  Fr= 1--      0.2845                 0.3002                 0.2702
 AlphaG Fr= 1--      0.0064                -0.0062                 0.0006
 Gamma2 Fr= 1--      0.7739                -0.1991                 0.0582
 Delta2 Fr= 1--      0.2120                -0.0607                -0.6561
 Raman1 Fr= 1--       8.748                  9.027                  7.578
 ROA1   Fr= 1--      81.079                -21.060                -15.412
 CID1   Fr= 1--       9.268                 -2.333                 -2.034
 Raman2 Fr= 1--       3.414                  3.602                  3.243
 ROA2   Fr= 1--      16.878                 -4.294                  6.644
 CID2   Fr= 1--       4.943                 -1.192                  2.049
 Raman3 Fr= 1--       6.829                  7.204                  6.485
 ROA3   Fr= 1--      81.079                -21.060                -15.412
 CID3   Fr= 1--      11.873                 -2.923                 -2.376
 RC180  Fr= 1--       0.561                  0.596                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13  -0.07  -0.13    -0.30   0.33   0.13    -0.05   0.06  -0.11
     2   6     0.21   0.14   0.08    -0.06   0.10   0.03     0.22  -0.21   0.03
     3   6     0.07   0.00   0.03     0.02  -0.01   0.02    -0.03   0.00  -0.03
     4   8    -0.12   0.01   0.01    -0.01   0.01  -0.00     0.00  -0.02   0.01
     5   8    -0.02   0.03   0.03     0.23  -0.28  -0.14     0.01  -0.03   0.00
     6   7    -0.06  -0.07   0.01     0.04  -0.08  -0.02    -0.07   0.13   0.06
     7   8     0.03  -0.04  -0.00     0.01  -0.01  -0.00    -0.01   0.04  -0.00
     8   1     0.28   0.46   0.10     0.32   0.15   0.09     0.37  -0.35   0.05
     9   1     0.02  -0.14  -0.12    -0.37   0.35   0.10    -0.31   0.26   0.20
    10   1    -0.19   0.03  -0.13    -0.18   0.17   0.10    -0.20  -0.30  -0.16
    11   1    -0.10   0.01   0.07    -0.04  -0.00   0.02     0.03  -0.01  -0.02
    12   1     0.05   0.26  -0.10     0.21  -0.12  -0.03    -0.24   0.15   0.08
    13   1     0.46  -0.25  -0.10     0.10  -0.06   0.02    -0.17   0.15   0.04
    14   1     0.24  -0.13  -0.12    -0.19  -0.03   0.13    -0.25   0.13   0.14
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1187.2956              1224.4076              1228.1261
 Red. masses --      1.6001                 1.2223                 2.5571
 Frc consts  --      1.3289                 1.0797                 2.2724
 IR Inten    --      5.3990                23.7611                 6.3459
 RamAct Fr= 1--      2.2794                 1.7157                 6.2840
  Dep-P Fr= 1--      0.2873                 0.6848                 0.3910
  Dep-U Fr= 1--      0.4463                 0.8129                 0.5622
 Alpha2 Fr= 1--      0.0243                 0.0020                 0.0481
 Beta2  Fr= 1--      0.1696                 0.2325                 0.5888
 AlphaG Fr= 1--     -0.0056                 0.0034                 0.0059
 Gamma2 Fr= 1--      0.5284                 0.0114                -1.4338
 Delta2 Fr= 1--      0.1877                 0.9124                -0.9136
 Raman1 Fr= 1--       9.118                  6.863                 25.136
 ROA1   Fr= 1--      56.733                 30.294               -166.883
 CID1   Fr= 1--       6.222                  4.414                 -6.639
 Raman2 Fr= 1--       2.035                  2.789                  7.065
 ROA2   Fr= 1--      11.180                 -7.025                -27.104
 CID2   Fr= 1--       5.495                 -2.518                 -3.836
 Raman3 Fr= 1--       4.069                  5.579                 14.131
 ROA3   Fr= 1--      56.733                 30.294               -166.883
 CID3   Fr= 1--      13.941                  5.430                -11.810
 RC180  Fr= 1--      -0.107                  0.626                  0.124
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.11     0.04  -0.04  -0.01     0.04  -0.01   0.01
     2   6    -0.05   0.11   0.12    -0.04   0.00  -0.07    -0.07  -0.04  -0.02
     3   6    -0.03  -0.02  -0.03    -0.04  -0.00   0.08     0.27   0.10  -0.05
     4   8     0.02   0.00   0.00     0.02  -0.01  -0.01    -0.13   0.07   0.01
     5   8    -0.00   0.02   0.04     0.01   0.01   0.02    -0.00  -0.00   0.01
     6   7     0.01  -0.02  -0.07     0.01  -0.01   0.01     0.01   0.01   0.01
     7   8     0.00  -0.01   0.01    -0.00   0.00  -0.01     0.03  -0.10   0.01
     8   1     0.34  -0.23   0.18     0.26   0.52  -0.02    -0.04  -0.19  -0.02
     9   1    -0.11   0.08   0.09    -0.44   0.20  -0.05    -0.34   0.17  -0.02
    10   1     0.23  -0.36  -0.10     0.36  -0.24   0.01     0.18  -0.16   0.02
    11   1     0.04   0.00  -0.04     0.10   0.02   0.02    -0.74  -0.10   0.14
    12   1     0.44  -0.39  -0.02    -0.11   0.12  -0.01    -0.07  -0.04   0.03
    13   1    -0.23   0.25   0.21     0.15  -0.12  -0.09    -0.13   0.00  -0.03
    14   1    -0.09   0.06   0.05    -0.29   0.18   0.16    -0.14   0.07   0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1315.7429              1377.8889              1391.0595
 Red. masses --      1.3204                 1.2255                 1.3295
 Frc consts  --      1.3467                 1.3708                 1.5157
 IR Inten    --      4.1203                15.7760                12.0482
 RamAct Fr= 1--      5.7098                 1.4154                 4.6918
  Dep-P Fr= 1--      0.6743                 0.4765                 0.7492
  Dep-U Fr= 1--      0.8055                 0.6455                 0.8566
 Alpha2 Fr= 1--      0.0076                 0.0078                 0.0001
 Beta2  Fr= 1--      0.7665                 0.1523                 0.6699
 AlphaG Fr= 1--     -0.0012                 0.0209                -0.0006
 Gamma2 Fr= 1--     -0.1302                 0.3285                 1.7476
 Delta2 Fr= 1--     -0.2349                -0.1674                -0.1540
 Raman1 Fr= 1--      22.839                  5.662                 18.767
 ROA1   Fr= 1--     -20.020                 26.180                162.839
 CID1   Fr= 1--      -0.877                  4.624                  8.677
 Raman2 Fr= 1--       9.198                  1.827                  8.038
 ROA2   Fr= 1--      -1.247                  9.223                 43.174
 CID2   Fr= 1--      -0.136                  5.047                  5.371
 Raman3 Fr= 1--      18.396                  3.655                 16.077
 ROA3   Fr= 1--     -20.020                 26.180                162.839
 CID3   Fr= 1--      -1.088                  7.164                 10.129
 RC180  Fr= 1--       0.611                  0.291                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.04    -0.08   0.06  -0.00    -0.03   0.07  -0.01
     2   6    -0.13  -0.06  -0.02     0.01   0.04  -0.06     0.03  -0.12   0.04
     3   6     0.01   0.00   0.03     0.02  -0.01  -0.01     0.00  -0.01   0.01
     4   8     0.01   0.01  -0.01    -0.02  -0.01   0.00     0.01   0.01  -0.00
     5   8    -0.01   0.00   0.01    -0.02  -0.01   0.03    -0.03  -0.01   0.02
     6   7     0.02   0.01   0.03     0.00  -0.01   0.04     0.00   0.02  -0.05
     7   8     0.00  -0.00  -0.00    -0.01   0.02   0.00     0.00   0.01  -0.00
     8   1     0.74   0.09   0.11    -0.06  -0.38  -0.08    -0.29   0.66   0.00
     9   1     0.47  -0.15   0.13     0.15  -0.04   0.05     0.12   0.01   0.10
    10   1    -0.14  -0.05  -0.07     0.69  -0.34   0.05     0.28  -0.19   0.01
    11   1    -0.17  -0.03   0.05     0.18   0.03  -0.03    -0.17  -0.03   0.01
    12   1    -0.14   0.04   0.04    -0.15   0.14   0.01     0.18  -0.18  -0.02
    13   1     0.03  -0.10  -0.09     0.14  -0.13  -0.09    -0.20   0.18   0.10
    14   1     0.17  -0.10  -0.10     0.22  -0.14  -0.12     0.28  -0.19  -0.14
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1410.5294              1455.8720              1510.7726
 Red. masses --      1.6742                 1.2637                 1.0914
 Frc consts  --      1.9626                 1.5781                 1.4676
 IR Inten    --    473.2261                25.1377                 1.0670
 RamAct Fr= 1--      1.4833                 3.1156                 4.9847
  Dep-P Fr= 1--      0.2882                 0.5223                 0.7284
  Dep-U Fr= 1--      0.4474                 0.6862                 0.8429
 Alpha2 Fr= 1--      0.0158                 0.0138                 0.0018
 Beta2  Fr= 1--      0.1106                 0.3563                 0.7002
 AlphaG Fr= 1--     -0.0141                -0.0211                 0.0040
 Gamma2 Fr= 1--      0.0112                 1.0546                -0.5828
 Delta2 Fr= 1--      0.0173                -0.0739                -0.1803
 Raman1 Fr= 1--       5.933                 12.462                 19.939
 ROA1   Fr= 1--       1.626                 98.878                -61.716
 CID1   Fr= 1--       0.274                  7.934                 -3.095
 Raman2 Fr= 1--       1.327                  4.276                  8.403
 ROA2   Fr= 1--       0.130                 25.903                -12.544
 CID2   Fr= 1--       0.098                  6.058                 -1.493
 Raman3 Fr= 1--       2.655                  8.552                 16.806
 ROA3   Fr= 1--       1.626                 98.878                -61.716
 CID3   Fr= 1--       0.613                 11.562                 -3.672
 RC180  Fr= 1--      -0.105                  0.372                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02  -0.00     0.10   0.03  -0.00    -0.02  -0.06  -0.06
     2   6    -0.06  -0.04   0.02    -0.01   0.04  -0.01    -0.01  -0.01  -0.00
     3   6     0.16   0.04  -0.02    -0.05  -0.02   0.01     0.01   0.00  -0.00
     4   8    -0.10  -0.06   0.02     0.03   0.01  -0.01    -0.00  -0.00   0.00
     5   8    -0.02  -0.01   0.00    -0.05  -0.03   0.01     0.00  -0.00  -0.00
     6   7     0.00   0.02  -0.01    -0.00  -0.01   0.01    -0.00   0.01   0.00
     7   8    -0.05   0.03  -0.00     0.01   0.00   0.00    -0.00   0.00   0.00
     8   1     0.08   0.13   0.04     0.06  -0.12  -0.01     0.03   0.01   0.00
     9   1    -0.13   0.11   0.01    -0.51   0.38   0.09    -0.02   0.13   0.70
    10   1    -0.18   0.00  -0.03    -0.16   0.04  -0.04     0.30   0.63   0.06
    11   1     0.87   0.15  -0.14    -0.15  -0.03   0.03     0.02   0.00  -0.00
    12   1     0.07  -0.10   0.01    -0.03   0.05  -0.00     0.00  -0.03   0.01
    13   1    -0.01   0.02  -0.01     0.05  -0.04  -0.01    -0.01  -0.01  -0.02
    14   1     0.15  -0.11  -0.09     0.53  -0.38  -0.26    -0.03   0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1659.5540              1813.2356              2953.1900
 Red. masses --      1.0927                 9.0078                 1.0715
 Frc consts  --      1.7732                17.4492                 5.5058
 IR Inten    --     36.8573               286.1655                60.0939
 RamAct Fr= 1--      3.5778                13.6173               128.6820
  Dep-P Fr= 1--      0.6288                 0.1836                 0.1400
  Dep-U Fr= 1--      0.7721                 0.3102                 0.2456
 Alpha2 Fr= 1--      0.0079                 0.1931                 2.0403
 Beta2  Fr= 1--      0.4604                 0.7040                 5.2672
 AlphaG Fr= 1--      0.0016                 0.1086                -0.1876
 Gamma2 Fr= 1--      0.0058                 0.8926                -3.4723
 Delta2 Fr= 1--     -0.0266                 0.2650                -0.9281
 Raman1 Fr= 1--      14.311                 54.469                514.728
 ROA1   Fr= 1--      -0.297                 94.171               -363.045
 CID1   Fr= 1--      -0.021                  1.729                 -0.705
 Raman2 Fr= 1--       5.525                  8.448                 63.206
 ROA2   Fr= 1--       0.351                 19.303                -75.911
 CID2   Fr= 1--       0.063                  2.285                 -1.201
 Raman3 Fr= 1--      11.050                 16.897                126.412
 ROA3   Fr= 1--      -0.297                 94.171               -363.045
 CID3   Fr= 1--      -0.027                  5.573                 -2.872
 RC180  Fr= 1--       0.544                 -0.380                 -0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.02   0.03  -0.00     0.00  -0.00  -0.08
     2   6    -0.03  -0.01  -0.01     0.01  -0.05   0.00    -0.00  -0.00   0.01
     3   6     0.01   0.00  -0.00    -0.29   0.62  -0.05     0.00   0.00  -0.00
     4   8    -0.00  -0.00   0.00     0.00  -0.07   0.01    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00  -0.00
     6   7     0.02  -0.07  -0.02     0.00  -0.01   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00   0.00     0.17  -0.38   0.03    -0.00  -0.00   0.00
     8   1     0.03  -0.01   0.00    -0.02   0.04  -0.00     0.02   0.00  -0.08
     9   1     0.02   0.00   0.03     0.08   0.01   0.07     0.07   0.14  -0.05
    10   1     0.01   0.01  -0.00     0.06  -0.01  -0.00    -0.12  -0.09   0.97
    11   1     0.03   0.00  -0.02     0.50   0.14  -0.09    -0.00   0.00  -0.00
    12   1    -0.04   0.68  -0.22    -0.01   0.01  -0.00    -0.00   0.01   0.00
    13   1    -0.03   0.42   0.56     0.03  -0.01   0.01    -0.00   0.00   0.00
    14   1    -0.00   0.00  -0.00     0.15  -0.14  -0.04    -0.00  -0.01   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3050.9044              3068.3577              3446.5464
 Red. masses --      1.0826                 1.0919                 1.0639
 Frc consts  --      5.9370                 6.0568                 7.4459
 IR Inten    --     12.5336                29.9083               244.5016
 RamAct Fr= 1--     56.9586               105.0629                69.1067
  Dep-P Fr= 1--      0.4098                 0.1916                 0.0712
  Dep-U Fr= 1--      0.5813                 0.3215                 0.1329
 Alpha2 Fr= 1--      0.4073                 1.4589                 1.2975
 Beta2  Fr= 1--      5.5185                 5.6305                 1.5310
 AlphaG Fr= 1--     -0.0812                 0.6949                -0.0769
 Gamma2 Fr= 1--     -0.9887                 7.5867                 0.0116
 Delta2 Fr= 1--     -1.8408                 3.4696                 0.9861
 Raman1 Fr= 1--     227.834                420.252                276.427
 ROA1   Fr= 1--    -153.820                839.356                 32.672
 CID1   Fr= 1--      -0.675                  1.997                  0.118
 Raman2 Fr= 1--      66.222                 67.565                 18.372
 ROA2   Fr= 1--      -9.002                154.325                 -7.610
 CID2   Fr= 1--      -0.136                  2.284                 -0.414
 Raman3 Fr= 1--     132.445                135.131                 36.744
 ROA3   Fr= 1--    -153.820                839.356                 32.672
 CID3   Fr= 1--      -1.161                  6.211                  0.889
 RC180  Fr= 1--       0.163                 -0.357                 -0.734
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.00    -0.04  -0.07   0.03     0.00  -0.00   0.00
     2   6     0.01   0.00  -0.08    -0.00  -0.00   0.02    -0.00   0.00   0.00
     3   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.01  -0.00
     4   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.06   0.00
     5   8     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     6   7     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01  -0.00
     7   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   1    -0.14  -0.02   0.94     0.04   0.01  -0.29     0.00  -0.00  -0.00
     9   1     0.13   0.26  -0.06     0.43   0.81  -0.19    -0.00  -0.00  -0.00
    10   1    -0.01  -0.01   0.03     0.01   0.00  -0.15     0.00   0.00  -0.00
    11   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.24   0.95  -0.07
    12   1    -0.01  -0.00  -0.01     0.00  -0.00   0.00     0.01   0.03   0.10
    13   1     0.00   0.01  -0.01    -0.00  -0.00   0.00     0.02   0.07  -0.06
    14   1    -0.01  -0.01   0.00    -0.02  -0.01   0.01    -0.01  -0.02   0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3493.6018              3583.5728              3672.7407
 Red. masses --      1.0522                 1.0915                 1.0656
 Frc consts  --      7.5664                 8.2586                 8.4686
 IR Inten    --      0.8127                11.6996               146.3411
 RamAct Fr= 1--     80.4287                53.8345                38.1094
  Dep-P Fr= 1--      0.0927                 0.5295                 0.0861
  Dep-U Fr= 1--      0.1698                 0.6924                 0.1586
 Alpha2 Fr= 1--      1.4333                 0.2300                 0.6902
 Beta2  Fr= 1--      2.2755                 6.2121                 1.0071
 AlphaG Fr= 1--     -0.0269                 0.1306                -0.1760
 Gamma2 Fr= 1--     -1.0422                 0.5007                -0.7288
 Delta2 Fr= 1--     -0.1468                -1.4902                -1.0718
 Raman1 Fr= 1--     321.715                215.338                152.438
 ROA1   Fr= 1--    -104.747                  0.381               -104.259
 CID1   Fr= 1--      -0.326                  0.002                 -0.684
 Raman2 Fr= 1--      27.306                 74.545                 12.086
 ROA2   Fr= 1--     -23.838                 23.939                 -8.916
 CID2   Fr= 1--      -0.873                  0.321                 -0.738
 Raman3 Fr= 1--      54.611                149.091                 24.171
 ROA3   Fr= 1--    -104.747                  0.381               -104.259
 CID3   Fr= 1--      -1.918                  0.003                 -4.313
 RC180  Fr= 1--      -0.660                  0.385                 -0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     4   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.03  -0.05   0.00
     6   7    -0.01  -0.04  -0.04    -0.00  -0.04   0.07    -0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   1    -0.00   0.00   0.01     0.00   0.00  -0.01     0.00  -0.00   0.00
     9   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.02  -0.00
    10   1     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.01
    11   1     0.03  -0.13   0.01     0.01  -0.02   0.00    -0.00   0.02  -0.00
    12   1     0.11   0.24   0.83    -0.08  -0.15  -0.44     0.00   0.00   0.00
    13   1     0.06   0.36  -0.31     0.14   0.68  -0.53    -0.00  -0.01   0.00
    14   1     0.00   0.01  -0.00     0.00   0.01  -0.00     0.47   0.87  -0.07

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   496.33169 752.321951186.52001
           X            0.99947  -0.03182   0.00685
           Y            0.03179   0.99948   0.00481
           Z           -0.00700  -0.00459   0.99996
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.17451     0.11513     0.07300
 Rotational constants (GHZ):           3.63616     2.39889     1.52104
 Zero-point vibrational energy     299081.9 (Joules/Mol)
                                   71.48228 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     99.82   238.64   337.48   427.00   478.40
          (Kelvin)            510.10   603.35   789.77   844.95   875.21
                             1068.65  1165.41  1219.06  1270.26  1433.21
                             1520.98  1567.55  1605.77  1708.25  1761.65
                             1767.00  1893.06  1982.47  2001.42  2029.44
                             2094.68  2173.66  2387.73  2608.84  4248.98
                             4389.57  4414.68  4958.81  5026.51  5155.96
                             5284.25
 
 Zero-point correction=                           0.113914 (Hartree/Particle)
 Thermal correction to Energy=                    0.121140
 Thermal correction to Enthalpy=                  0.122084
 Thermal correction to Gibbs Free Energy=         0.082444
 Sum of electronic and zero-point Energies=           -399.042285
 Sum of electronic and thermal Energies=              -399.035060
 Sum of electronic and thermal Enthalpies=            -399.034116
 Sum of electronic and thermal Free Energies=         -399.073756
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.016             26.125             83.429
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.585
 Vibrational             74.239             20.163             15.980
 Vibration     1          0.598              1.969              4.171
 Vibration     2          0.624              1.884              2.482
 Vibration     3          0.654              1.788              1.844
 Vibration     4          0.690              1.680              1.435
 Vibration     5          0.714              1.611              1.248
 Vibration     6          0.730              1.566              1.146
 Vibration     7          0.782              1.428              0.894
 Vibration     8          0.904              1.142              0.546
 Vibration     9          0.944              1.059              0.472
 Vibration    10          0.967              1.014              0.436
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.119821D-37        -37.921468        -87.317407
 Total V=0       0.298823D+15         14.475414         33.330872
 Vib (Bot)       0.118839D-50        -50.925041       -117.259240
 Vib (Bot)    1  0.297307D+01          0.473206          1.089597
 Vib (Bot)    2  0.121663D+01          0.085159          0.196086
 Vib (Bot)    3  0.838002D+00         -0.076755         -0.176734
 Vib (Bot)    4  0.641960D+00         -0.192492         -0.443229
 Vib (Bot)    5  0.561070D+00         -0.250983         -0.577910
 Vib (Bot)    6  0.518861D+00         -0.284949         -0.656120
 Vib (Bot)    7  0.418929D+00         -0.377860         -0.870054
 Vib (Bot)    8  0.286193D+00         -0.543341         -1.251088
 Vib (Bot)    9  0.257585D+00         -0.589080         -1.356406
 Vib (Bot)   10  0.243372D+00         -0.613730         -1.413165
 Vib (V=0)       0.296374D+02          1.471841          3.389038
 Vib (V=0)    1  0.351483D+01          0.545904          1.256990
 Vib (V=0)    2  0.181537D+01          0.258965          0.596288
 Vib (V=0)    3  0.147583D+01          0.169037          0.389222
 Vib (V=0)    4  0.131370D+01          0.118497          0.272850
 Vib (V=0)    5  0.125153D+01          0.097442          0.224368
 Vib (V=0)    6  0.122057D+01          0.086562          0.199315
 Vib (V=0)    7  0.115230D+01          0.061567          0.141764
 Vib (V=0)    8  0.107611D+01          0.031858          0.073356
 Vib (V=0)    9  0.106245D+01          0.026308          0.060578
 Vib (V=0)   10  0.105608D+01          0.023699          0.054568
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.238271D+06          5.377071         12.381164
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3   3  33            33  2                                       1    1    1 1111 1 111  111                                    
     6   5  44            00  9                                       8    6    5 4433 3 221  100 9   888  7   65 5   4 332 2  1     
     7   8  94            65  5                                       1    6    1 5197 1 228  185 9   841  4   08 4   1 539 3  6  6  
     3   4  47            81  3                                       3    0    1 6118 6 847  697 6   370  3   87 9   9 537 5  6  9  
 
     X   X  XX            XX  X                                       X    X    X XXXX X XXX  XXX X   XXX  X   XX X   X XXX X  X  X  
     X       X                X                                       X    X       X           XX     XX       XX                    
     X       X                X                                       X            X           XX     XX        X                    
     X       X                                                        X            X           X       X                             
     X       X                                                        X            X                   X                             
     X       X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
             X                                                        X            X                                                 
                                                                      X            X                                                 
                                                                      X            X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
                                                                                   X                                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000047074   -0.000055048   -0.000003350
      2        6          -0.000081133   -0.000015703    0.000054424
      3        6           0.000043205    0.000102134   -0.000058742
      4        8          -0.000035846    0.000040468    0.000017133
      5        8           0.000014835    0.000049545    0.000020695
      6        7           0.000012968   -0.000034489   -0.000013704
      7        8          -0.000013682   -0.000048134    0.000012415
      8        1          -0.000002391    0.000010917   -0.000009871
      9        1           0.000002451   -0.000002112   -0.000010652
     10        1           0.000016201    0.000007962    0.000004619
     11        1           0.000003030   -0.000058977   -0.000004660
     12        1           0.000008135   -0.000005380   -0.000009774
     13        1           0.000001139   -0.000002149   -0.000003417
     14        1          -0.000015984    0.000010967    0.000004884
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000102134 RMS     0.000033141
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.644015D+02 -0.285672D+01 -0.336259D+00
      2  -0.285672D+01  0.638550D+02  0.240569D+00
      3  -0.336259D+00  0.240569D+00  0.478289D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.117774D+01 -0.208773D+01 -0.132340D+02
      2   0.805366D+00  0.208281D+01  0.824332D+01
      3   0.990489D+01  0.377422D+01 -0.116052D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.154059D+01 -0.176167D+02 -0.324277D+01
      2   0.337487D+01  0.267210D+02 -0.100401D+01
      3  -0.183428D+01 -0.910424D+01  0.424678D+01
      4   0.174988D+02  0.697126D+01  0.482672D+01
      5   0.293451D+01  0.375668D+01  0.153113D+02
      6   0.171769D+01  0.140204D+01  0.299693D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.336669D+01  0.515319D+00  0.182298D+01 -0.813371D+00 -0.450249D+01
      2   0.515319D+00 -0.242733D+01  0.470088D+00 -0.450249D+01 -0.408576D+01
      3   0.182298D+01  0.470088D+00  0.207758D+01 -0.812582D-01  0.853267D+00
                 6             7             8             9            10 
      1  -0.812582D-01  0.252145D+01  0.923213D-01  0.116722D+01 -0.399351D+01
      2   0.853267D+00  0.923213D-01  0.110189D+01 -0.838364D+00 -0.159210D+00
      3  -0.522939D+00  0.116722D+01 -0.838364D+00 -0.846629D+01 -0.139378D+01
                11            12            13            14            15 
      1  -0.159210D+00 -0.139378D+01 -0.781471D+00  0.324949D+01  0.148495D+00
      2   0.259296D+01  0.671140D-01  0.324949D+01  0.152267D+01 -0.238429D+00
      3   0.671140D-01 -0.129771D+01  0.148495D+00 -0.238429D+00  0.366407D+00
                16            17            18            19            20 
      1  -0.225889D+01  0.263578D+00 -0.127838D+01  0.864042D-02  0.140865D+00
      2   0.263578D+00 -0.366524D-01 -0.355747D+00  0.140865D+00 -0.425358D+01
      3  -0.127838D+01 -0.355747D+00  0.665564D+01  0.970860D-01  0.234901D-01
                21            22            23            24            25 
      1   0.970860D-01  0.277337D+01 -0.331116D+01 -0.126419D-01 -0.331438D+00
      2   0.234901D-01 -0.331116D+01  0.288892D+01 -0.335194D+00 -0.159739D+00
      3  -0.681307D+00 -0.126419D-01 -0.335194D+00  0.252411D+00 -0.419586D+00
                26            27            28            29            30 
      1  -0.159739D+00 -0.419586D+00 -0.691483D+01 -0.874471D+00  0.247117D+00
      2   0.119741D+00  0.680465D-01 -0.874471D+00  0.170088D+00 -0.305795D-01
      3   0.680465D-01 -0.633933D+00  0.247117D+00 -0.305795D-01 -0.102400D+01
                31            32            33            34            35 
      1  -0.352726D+01 -0.221612D+01  0.114114D+00  0.937707D+00  0.364429D+00
      2  -0.221612D+01 -0.533698D+01  0.283299D+00  0.364429D+00  0.443405D+00
      3   0.114114D+00  0.283299D+00 -0.221751D+00 -0.210689D+01 -0.134864D-01
                36            37            38            39            40 
      1  -0.210689D+01  0.746653D+01 -0.208384D+01 -0.110979D+01  0.879202D+00
      2  -0.134864D-01 -0.208384D+01  0.287878D+01  0.120915D-01  0.419073D+01
      3   0.506201D+00 -0.110979D+01  0.120915D-01  0.356680D+00 -0.884063D-01
                41            42            43            44            45 
      1   0.419073D+01 -0.884063D-01 -0.161512D+01  0.503821D+00  0.134956D+01
      2   0.787275D+00 -0.307598D+00  0.503821D+00 -0.811215D+00 -0.730825D+00
      3  -0.307598D+00  0.939667D+00  0.134956D+01 -0.730825D+00 -0.299672D+00
                46            47            48            49            50 
      1  -0.230026D+01  0.248279D+01  0.597866D+00  0.204633D+01 -0.285857D+01
      2   0.248279D+01 -0.342561D+01  0.211288D+00 -0.285857D+01 -0.187129D+01
      3   0.597866D+00  0.211288D+00 -0.875434D+00  0.268382D+00  0.934799D+00
                51            52            53            54            55 
      1   0.268382D+00  0.477283D+00  0.271165D+00 -0.908771D+00  0.456775D+01
      2   0.934799D+00  0.271165D+00  0.113400D+01 -0.223299D+01 -0.258305D+01
      3  -0.219297D+01 -0.908771D+00 -0.223299D+01 -0.328470D+01  0.155805D+00
                56            57            58            59            60 
      1  -0.258305D+01  0.155805D+00 -0.460748D+01  0.255219D+01 -0.240124D-01
      2   0.238430D+01 -0.106804D+00  0.255219D+01 -0.118099D+02  0.344054D+00
      3  -0.106804D+00  0.119162D+01 -0.240124D-01  0.344054D+00 -0.201247D+01
                61            62            63            64            65 
      1   0.399578D+00 -0.164044D+00  0.102955D+01  0.136906D+01  0.281834D+00
      2  -0.164044D+00  0.527488D+00 -0.285813D+01  0.281834D+00 -0.169645D+00
      3   0.102955D+01 -0.285813D+01  0.644573D+00 -0.108299D+01  0.222953D-01
                66            67            68            69            70 
      1  -0.108299D+01  0.158138D+00 -0.506094D+00 -0.936254D-02 -0.133315D+01
      2   0.222953D-01 -0.506094D+00  0.217549D+00 -0.110166D+01 -0.389352D-01
      3   0.107551D+01 -0.936254D-02 -0.110166D+01  0.162369D+00  0.687346D+00
                71            72            73            74            75 
      1  -0.389352D-01  0.687346D+00  0.302914D+01  0.217125D+01 -0.522990D+00
      2  -0.176632D+01  0.664931D+00  0.217125D+01  0.241045D+01 -0.140753D+00
      3   0.664931D+00 -0.830372D+01 -0.522990D+00 -0.140753D+00  0.545517D+00
                76            77            78            79            80 
      1   0.302423D+01  0.320681D+01 -0.346345D-01 -0.107229D+01 -0.373754D+00
      2   0.320681D+01  0.676123D+01 -0.524372D+00 -0.373754D+00 -0.120319D+01
      3  -0.346345D-01 -0.524372D+00  0.885556D+00  0.664223D+00  0.108310D+01
                81            82            83            84            85 
      1   0.664223D+00 -0.673507D+00  0.147287D+00  0.115677D+01 -0.324089D+00
      2   0.108310D+01  0.147287D+00  0.106468D+00 -0.277707D+00  0.436354D+00
      3   0.257123D+00  0.115677D+01 -0.277707D+00 -0.113005D+01 -0.835082D-01
                86            87            88            89            90 
      1   0.436354D+00 -0.835082D-01  0.163330D+01 -0.294860D+00  0.194950D+00
      2   0.349440D+00  0.116123D+01 -0.294860D+00  0.135220D+01  0.793886D+00
      3   0.116123D+01 -0.232688D+00  0.194950D+00  0.793886D+00  0.946899D+01
                91            92            93            94            95 
      1  -0.270457D+01  0.881833D+00 -0.125439D+00  0.345909D+01  0.342400D+00
      2   0.881833D+00 -0.589439D+00 -0.129622D-01  0.342400D+00  0.541008D+01
      3  -0.125439D+00 -0.129622D-01 -0.802119D+00 -0.203418D+00 -0.169420D+00
                96            97            98            99           100 
      1  -0.203418D+00 -0.282175D+00 -0.108568D+00 -0.751503D+00 -0.412221D+00
      2  -0.169420D+00 -0.108568D+00 -0.403648D+00  0.667864D-01 -0.463518D-01
      3   0.415319D+00 -0.751503D+00  0.667864D-01 -0.704729D-02  0.244018D+00
               101           102           103           104           105 
      1  -0.463518D-01  0.244018D+00  0.850563D-01 -0.908724D-01 -0.407065D-01
      2   0.382612D+00  0.212001D+00 -0.908724D-01  0.214169D+01  0.141867D+01
      3   0.212001D+00  0.363675D+00 -0.407065D-01  0.141867D+01  0.147204D+01
               106           107           108           109           110 
      1   0.131376D+01 -0.288421D+00 -0.652229D-01 -0.312339D+00  0.302718D+00
      2  -0.288421D+00  0.281729D+01  0.263160D+01  0.302718D+00  0.884387D+00
      3  -0.652229D-01  0.263160D+01  0.555684D+01 -0.257531D+00 -0.313524D+00
               111           112           113           114           115 
      1  -0.257531D+00  0.836852D+00  0.817261D-01 -0.703401D-01 -0.874223D+00
      2  -0.313524D+00  0.817261D-01  0.734976D+01 -0.213698D+01 -0.184453D+00
      3   0.371292D+00 -0.703401D-01 -0.213698D+01  0.181532D+01  0.972701D-01
               116           117           118           119           120 
      1  -0.184453D+00  0.972701D-01 -0.249658D+01 -0.117697D+01  0.170866D+00
      2  -0.360807D+01  0.218799D+01 -0.117697D+01 -0.944432D+00 -0.136039D+00
      3   0.218799D+01 -0.187463D+01  0.170866D+00 -0.136039D+00 -0.171248D+00
               121           122           123           124           125 
      1  -0.320860D+01 -0.574397D+00  0.117297D+00  0.484197D+00  0.117460D+00
      2  -0.574397D+00 -0.432469D+01 -0.181663D+00  0.117460D+00  0.333084D+00
      3   0.117297D+00 -0.181663D+00 -0.112625D+01  0.340238D+00 -0.466803D+00
               126 
      1   0.340238D+00
      2  -0.466803D+00
      3  -0.219390D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.257792D+01 -0.248908D+01 -0.312320D+01 -0.236614D+01 -0.312378D+01
      2   0.406023D+01  0.102838D+01  0.357092D+01 -0.287988D-01  0.250759D+01
      3   0.498699D+01  0.392102D+01  0.111951D+01  0.102141D+02  0.127623D+01
                 6             7             8             9            10 
      1   0.528998D-01 -0.143359D+01  0.231366D+01  0.826754D+01  0.167593D+01
      2   0.686455D+00 -0.210831D+01 -0.110536D+01 -0.103184D+02 -0.115488D+01
      3  -0.157341D+01  0.197527D+01 -0.137389D+01  0.258612D+01 -0.324988D+01
                11            12            13            14            15 
      1  -0.583865D+00 -0.458024D+00 -0.253655D+01  0.466767D+00 -0.304254D+01
      2  -0.714781D+00  0.154035D+01  0.193810D+01  0.720190D+00  0.272757D+01
      3  -0.470714D+01 -0.132385D+01  0.123870D+01 -0.187707D+01  0.635255D+00
                16            17            18            19            20 
      1   0.582916D+00  0.370808D+01 -0.168683D+01  0.170521D+00  0.141048D+01
      2  -0.460560D+01  0.133813D+01  0.612783D+00 -0.517935D+00 -0.197268D+01
      3  -0.350560D+01  0.319267D+00 -0.774770D+00  0.131485D+01 -0.587261D+01
                21            22            23            24            25 
      1  -0.180137D+01  0.225022D+01  0.274597D+01  0.837829D+01  0.310906D+01
      2  -0.600606D+01 -0.245998D+01  0.419634D+00  0.259791D+00 -0.130277D+02
      3   0.151964D+01 -0.616079D+01  0.232588D+01 -0.109023D+01  0.345858D+01
                26            27            28            29            30 
      1   0.128559D+02 -0.240791D+01  0.544894D+00  0.923161D-02 -0.199567D+00
      2  -0.489525D+01  0.200375D+01 -0.122004D+01 -0.380399D+00  0.801723D+01
      3  -0.835121D+00  0.936992D+00  0.339621D+01 -0.484608D+01 -0.298352D+00
                31            32            33            34            35 
      1  -0.732871D+00 -0.113860D+01 -0.351103D+01 -0.306366D+01 -0.919574D-01
      2   0.104055D+01 -0.485587D+00  0.242236D+01  0.306998D+01  0.328367D+01
      3  -0.443094D+00 -0.197875D+02  0.911030D+00 -0.454938D+00  0.226290D+01
                36            37            38            39            40 
      1   0.690527D+00 -0.720690D-01 -0.141762D+00  0.303985D+01  0.185508D+00
      2  -0.172526D+01 -0.227905D+01  0.131976D+01  0.572438D+01 -0.555843D-01
      3   0.142172D+01 -0.304302D+01 -0.166402D+02 -0.100622D+01 -0.107804D+02
                41            42            43            44            45 
      1  -0.115991D+01 -0.434980D+01 -0.238719D+00  0.373722D+01 -0.148881D+01
      2  -0.883422D+00 -0.415879D+00 -0.990782D-01 -0.115497D+01 -0.186247D+01
      3  -0.454943D+01  0.987445D+00  0.289370D+00  0.276679D+01  0.158318D+01
                46            47            48            49            50 
      1  -0.118904D+01  0.204806D+00  0.233627D+01  0.473994D+00 -0.463826D+01
      2  -0.109612D+01  0.141212D+01  0.645573D+01 -0.230728D+00 -0.225425D+01
      3  -0.121438D+00 -0.566568D+01  0.788519D+00  0.590019D+01 -0.863438D+01
                51            52            53            54            55 
      1   0.725306D+00  0.155949D+01  0.971459D+01  0.574034D+01 -0.151467D+00
      2   0.208827D+01 -0.163743D+01  0.384594D+01  0.408134D+01  0.251632D+00
      3   0.150805D+01  0.133080D+01  0.231467D+01 -0.526496D+01 -0.877760D+01
                56            57            58            59            60 
      1  -0.590932D+00  0.192447D+01  0.299483D+00  0.774421D+00 -0.111113D+02
      2   0.811213D+00  0.387600D+01 -0.778223D-01 -0.831788D+00 -0.110638D+01
      3   0.981206D+00 -0.603795D+00  0.166508D+02 -0.747020D+01  0.400690D+00
                61            62            63            64            65 
      1  -0.773857D+00 -0.153295D+01  0.179875D+01  0.502114D+00 -0.279251D+00
      2  -0.230625D+01  0.382160D+01 -0.585334D+00  0.119603D+01  0.210177D+00
      3  -0.241557D+01 -0.239254D+00 -0.362090D+01  0.763849D+00 -0.418024D+00
                66            67            68            69            70 
      1  -0.340887D+00  0.189988D+00 -0.174436D+00  0.586518D-01 -0.607166D+00
      2   0.813363D+00 -0.414559D-01 -0.130293D+00 -0.288994D+00 -0.220614D+01
      3  -0.803619D+00  0.138588D+01 -0.224849D+00  0.109872D+00 -0.714999D+00
                71            72            73            74            75 
      1   0.256200D+01  0.432130D+01  0.164454D+01  0.145630D+01 -0.125420D+01
      2   0.413049D+00 -0.556606D+00 -0.134762D+01 -0.863639D+00  0.195380D+01
      3   0.244413D+00  0.214190D+00  0.153282D+00 -0.308461D+01 -0.342161D+00
                76            77            78            79            80 
      1   0.119562D+01  0.321008D+01 -0.322285D+01 -0.672460D+00 -0.528572D+00
      2  -0.489562D+00 -0.146867D+01  0.218484D+01  0.306082D+00  0.151684D+01
      3   0.238662D+00 -0.852106D+01  0.100551D+01 -0.113553D+01  0.166544D+01
                81            82            83            84            85 
      1   0.268958D+00 -0.674645D+00 -0.104814D+00  0.712245D+00  0.794879D-01
      2   0.995512D-01  0.256900D+01 -0.682053D+00 -0.113497D+01 -0.493434D-01
      3  -0.965505D+00 -0.128234D+01 -0.701977D+00  0.123337D+01 -0.758226D-01
                86            87            88            89            90 
      1  -0.818366D+00  0.365309D+00 -0.312729D+00  0.343267D+01 -0.767958D+01
      2   0.162533D+01 -0.185714D+00 -0.433833D+01  0.148485D+01  0.133022D+02
      3   0.931371D-02 -0.152680D+01  0.172340D+01 -0.229016D+01 -0.154170D+01
                91            92            93            94            95 
      1   0.331594D+00  0.226730D+00  0.114520D+01  0.195095D+00  0.133994D+01
      2   0.498769D-01 -0.111692D+00  0.101397D+01 -0.227724D+00  0.252683D+00
      3  -0.289403D+00 -0.223436D+01 -0.246646D+00  0.769597D+00  0.222863D+02
                96            97            98            99           100 
      1   0.127827D+01  0.591666D+00  0.254579D+01 -0.529280D-01 -0.504299D+00
      2  -0.216729D+01 -0.414231D+00 -0.103366D+01  0.322894D+00 -0.105534D+01
      3  -0.645978D+00  0.596366D-01 -0.163052D+01 -0.528528D+00 -0.770255D+00
               101           102           103           104           105 
      1   0.157443D+00 -0.960941D+00  0.310298D+00 -0.223025D+01 -0.385098D+01
      2  -0.151621D+00 -0.540327D+00 -0.365971D-02 -0.174232D+01 -0.190300D+01
      3  -0.640508D+00  0.492332D+00  0.591660D+00  0.202881D+01  0.130598D+01
               106           107           108           109           110 
      1  -0.264015D+00 -0.363752D+01 -0.111403D+02  0.279182D-01  0.426173D+00
      2  -0.260672D+01 -0.293971D+01 -0.626211D+01  0.442773D+00  0.501162D+00
      3   0.316597D+01  0.224846D+01  0.298054D+01 -0.324990D+00  0.656803D+00
               111           112           113           114           115 
      1  -0.109738D+01 -0.159724D-01  0.360558D+01 -0.470579D+01 -0.302452D+00
      2  -0.394881D+00  0.758016D+00  0.279694D+01 -0.197124D+01 -0.128305D+01
      3  -0.744202D+00  0.375739D+01  0.782232D+01 -0.246602D+01 -0.299543D+01
               116           117           118           119           120 
      1  -0.323265D+01  0.374278D+01  0.271932D+00  0.298539D+00  0.775394D-01
      2  -0.259115D+01  0.150892D+01 -0.667798D-01 -0.285566D+00 -0.966701D+00
      3  -0.445905D+01  0.264082D+01  0.867369D+01  0.732237D+01  0.965542D-01
               121           122           123           124           125 
      1   0.640061D+00  0.102045D+01 -0.987254D+00  0.395577D+00  0.835518D-01
      2  -0.720083D-01 -0.526030D+00 -0.233080D+01 -0.940958D+00 -0.554590D+00
      3   0.891082D+01  0.138862D+02  0.271168D+00 -0.780963D+00 -0.993950D+00
               126 
      1  -0.254943D+00
      2  -0.453850D+00
      3   0.332803D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.158963D+00  0.975159D+00 -0.663798D+00  0.541050D+01 -0.494125D+01
      2  -0.433137D+01 -0.509104D+01 -0.406697D+01 -0.957495D+01 -0.984796D+01
      3   0.449033D+01  0.411588D+01  0.473076D+01  0.416445D+01  0.147892D+02
      4   0.235757D+01 -0.119213D+02  0.447188D+01 -0.184147D+02 -0.194931D+02
      5   0.749498D+01  0.754096D+00  0.204638D+01 -0.209712D+01  0.247228D+01
      6   0.331090D+01  0.259687D+01  0.568561D+01 -0.474695D+00 -0.435720D+00
                 6             7             8             9            10 
      1   0.140642D+01  0.562915D+01  0.152682D+01  0.156413D+02 -0.552193D+01
      2   0.375910D+01 -0.382841D+01  0.159974D+01  0.684788D+01  0.431566D+01
      3  -0.516553D+01 -0.180073D+01 -0.312657D+01 -0.224892D+02  0.120627D+01
      4   0.215614D+01  0.140761D+01  0.407614D+01 -0.238316D+01 -0.151911D+01
      5   0.198422D+01  0.229822D+01 -0.151964D+01 -0.170283D+02 -0.235753D+01
      6  -0.333258D+01  0.206884D+01 -0.643938D+00 -0.980295D+01 -0.247965D+01
                11            12            13            14            15 
      1  -0.565015D+01 -0.147121D+01  0.251475D+01 -0.489859D+00  0.149983D+01
      2   0.982223D+01  0.345238D+00  0.172028D+01  0.414420D+00 -0.359891D+00
      3  -0.417208D+01  0.112597D+01 -0.423503D+01  0.754385D-01 -0.113994D+01
      4  -0.256768D+01 -0.284092D+01 -0.500026D+01  0.732570D+01  0.796642D+00
      5  -0.565378D+00 -0.121234D+01  0.900524D+00  0.108845D+01  0.275632D+01
      6  -0.586647D+00 -0.110203D+01 -0.587506D-01 -0.442625D+00 -0.126780D+00
                16            17            18            19            20 
      1  -0.126002D+01 -0.566699D+00  0.594776D+01 -0.124930D+02 -0.778111D+01
      2  -0.870705D+00 -0.450475D+01  0.100271D+02  0.644343D+01  0.106949D+02
      3   0.213072D+01  0.507145D+01 -0.159749D+02  0.604956D+01 -0.291382D+01
      4  -0.452698D+01  0.128406D+00 -0.217725D+01  0.881339D+00 -0.150510D+01
      5  -0.109108D+01 -0.940942D+00  0.538096D+01  0.119888D+01 -0.979360D+00
      6  -0.270762D+01  0.552633D-01  0.817483D+01  0.276008D+00 -0.397307D+00
                21            22            23            24            25 
      1   0.670496D+00  0.662190D+00  0.211938D+02 -0.207955D+01  0.102848D+01
      2  -0.148219D+01  0.105302D+01 -0.296924D+02 -0.433858D+00 -0.138734D+01
      3   0.811690D+00 -0.171521D+01  0.849862D+01  0.251341D+01  0.358857D+00
      4  -0.239144D+00 -0.908636D+01  0.456859D+01 -0.233856D+00  0.297006D+01
      5  -0.972916D+01 -0.295756D+00 -0.106818D+01  0.234515D+01  0.321811D+01
      6   0.425459D+01 -0.278623D+00 -0.297440D+00 -0.982830D+01 -0.258780D+00
                26            27            28            29            30 
      1  -0.424139D+01 -0.365102D+01  0.426618D+02  0.390046D+01 -0.120696D+01
      2   0.374208D+01 -0.729778D+01 -0.255894D+02 -0.197362D+01  0.131463D+01
      3   0.499306D+00  0.109488D+02 -0.170724D+02 -0.192684D+01 -0.107662D+00
      4   0.842124D+00  0.806730D+00  0.113453D+02  0.893558D+01  0.599942D+00
      5  -0.135989D+01  0.194865D+01 -0.195278D+01  0.681534D+00  0.156878D+02
      6   0.193762D+01  0.251979D+01  0.504180D+00  0.505671D+00  0.836577D+00
                31            32            33            34            35 
      1   0.120117D+02  0.528923D+01  0.387091D+00 -0.185640D+01  0.655073D+00
      2  -0.721052D+01 -0.735788D+00  0.168762D-01  0.205381D+01  0.346992D+00
      3  -0.480115D+01 -0.455344D+01 -0.403967D+00 -0.197407D+00 -0.100207D+01
      4   0.154586D+02  0.162428D+02 -0.919237D+00 -0.523339D+00 -0.138864D+01
      5   0.103673D-01 -0.136575D+01  0.269876D+01  0.144856D+02  0.949268D+00
      6  -0.254241D+00 -0.575989D+00  0.609958D+01  0.383327D+01  0.464921D+01
                36            37            38            39            40 
      1   0.526613D+01  0.423025D+02 -0.547851D+01 -0.224333D+01 -0.227347D+01
      2  -0.795864D+01 -0.256916D+02  0.775673D-03  0.393500D+01 -0.378269D+00
      3   0.269250D+01 -0.166109D+02  0.547774D+01 -0.169168D+01  0.265174D+01
      4   0.363560D+01 -0.114683D+02  0.156484D+02 -0.172105D+00  0.173728D+02
      5  -0.319596D+01 -0.562956D+01  0.435895D+00  0.107569D+02  0.918356D+00
      6  -0.847480D+00 -0.332636D+00 -0.679157D+00 -0.375500D+01  0.417782D-01
                41            42            43            44            45 
      1   0.105768D+02 -0.319922D+01 -0.678435D+01  0.392928D+00  0.172242D+01
      2  -0.247551D+01 -0.850558D+00  0.508742D+01  0.713800D+00 -0.789119D+01
      3  -0.810126D+01  0.404978D+01  0.169694D+01 -0.110673D+01  0.616877D+01
      4   0.317140D-01 -0.155879D+01  0.261692D+01 -0.301363D+01 -0.293977D+01
      5  -0.235179D+01 -0.915499D+00  0.125576D+02 -0.465047D+01 -0.405245D+01
      6   0.169845D+01  0.795570D+01 -0.196403D+01  0.466278D+01  0.219981D+01
                46            47            48            49            50 
      1   0.468235D+01  0.721993D+01 -0.143829D+01  0.562555D+00  0.925203D+01
      2   0.445117D+01 -0.133531D+02  0.134784D+01 -0.612240D+01 -0.791035D+01
      3  -0.913353D+01  0.613314D+01  0.904526D-01  0.555985D+01 -0.134167D+01
      4  -0.570691D+01  0.172639D+02  0.193355D+01  0.167333D+02 -0.768523D+01
      5  -0.521558D+00  0.725986D+00  0.725922D+01 -0.336698D+00 -0.248672D+01
      6   0.176888D+01  0.149956D+01 -0.523175D+01  0.850853D+00  0.720479D+01
                51            52            53            54            55 
      1  -0.201324D+01 -0.202265D+01 -0.258898D+01  0.102211D+02 -0.920657D+00
      2   0.621498D+01  0.133316D+01  0.808066D+01 -0.121186D+02  0.548505D+01
      3  -0.420174D+01  0.689485D+00 -0.549168D+01  0.189753D+01 -0.456439D+01
      4  -0.115683D+01  0.896822D+00 -0.189303D+01 -0.165613D+01 -0.671364D+01
      5   0.162396D+01  0.640549D+01  0.373886D+01  0.416729D+01  0.128244D+00
      6  -0.656620D+01 -0.351272D+01 -0.981858D+01 -0.118488D+02 -0.471705D+00
                56            57            58            59            60 
      1   0.694530D+01 -0.654484D+00  0.723476D+01 -0.381226D+02  0.871950D+00
      2  -0.993496D+01  0.338009D+00 -0.850482D+01  0.566062D+02 -0.222772D+00
      3   0.298966D+01  0.316475D+00  0.127006D+01 -0.184836D+02 -0.649178D+00
      4   0.138083D+02 -0.640114D+00  0.161798D+02  0.107651D+01  0.105653D+00
      5  -0.306657D+00  0.590770D+01 -0.352003D+00  0.605102D+00 -0.793622D+00
      6   0.454790D+00 -0.395523D+01  0.434947D+00 -0.150365D+00  0.176283D+02
                61            62            63            64            65 
      1  -0.219563D+00  0.269104D+01 -0.997057D+01  0.781232D+00  0.770810D+00
      2   0.501253D+00 -0.197500D+01  0.731324D+01 -0.428760D+01 -0.994960D+00
      3  -0.281690D+00 -0.716041D+00  0.265733D+01  0.350637D+01  0.224151D+00
      4  -0.139048D+01 -0.426018D-01  0.214090D+00  0.110291D+01  0.197183D+01
      5   0.346871D+01  0.250101D+01 -0.739964D-01 -0.138604D+01 -0.298392D+00
      6  -0.334827D+01  0.159003D+02 -0.265318D+01 -0.156553D+01 -0.488313D+00
                66            67            68            69            70 
      1   0.596852D+00  0.116656D+00 -0.321243D+01  0.561007D+00  0.461294D+00
      2   0.149676D+01  0.379505D+00  0.251461D+00 -0.154095D+01  0.235431D+01
      3  -0.209361D+01 -0.496161D+00  0.296097D+01  0.979943D+00 -0.281560D+01
      4  -0.128018D+01  0.210556D+01  0.237257D+00 -0.516920D+00 -0.121988D+01
      5   0.648302D+01 -0.139555D+00 -0.125705D+01 -0.278673D+00  0.472956D+01
      6   0.120978D+01 -0.823838D+00 -0.126062D+01  0.606450D+01  0.122099D+01
                71            72            73            74            75 
      1   0.254215D+01 -0.157193D+02  0.110440D+02  0.575180D+01 -0.153121D+01
      2  -0.429076D+00 -0.160460D+02 -0.602020D+00  0.228095D+01  0.662586D-01
      3  -0.211307D+01  0.317654D+02 -0.104420D+02 -0.803274D+01  0.146496D+01
      4   0.385861D+00  0.110266D+01  0.160436D+02  0.159220D+02 -0.137671D+01
      5   0.709190D+00 -0.441161D+01 -0.843983D+00  0.864074D-02  0.320896D+01
      6   0.517636D+01 -0.109322D+02 -0.524860D+00 -0.676323D-01  0.187950D+01
                76            77            78            79            80 
      1   0.535433D+01 -0.287211D+01  0.477852D+00 -0.279152D+01  0.646880D+00
      2   0.468096D+01  0.202745D+02 -0.200284D+01  0.671740D+00 -0.303357D+01
      3  -0.100353D+02 -0.174024D+02  0.152499D+01  0.211978D+01  0.238669D+01
      4   0.193398D+02  0.305828D+02 -0.216295D+01 -0.327401D+01 -0.454962D+01
      5   0.460345D+00 -0.990582D+00  0.378425D+01  0.402247D+01  0.448547D+01
      6   0.745844D+00  0.155452D+00  0.445094D+01  0.264105D+01  0.487385D+01
                81            82            83            84            85 
      1  -0.132663D+01 -0.197814D+01  0.103366D+01  0.594143D+01 -0.140269D+01
      2   0.425651D+00 -0.154406D+01  0.467756D+00 -0.162424D+01  0.183121D+01
      3   0.900982D+00  0.352220D+01 -0.150141D+01 -0.431719D+01 -0.428518D+00
      4   0.524589D+01  0.106567D+00  0.263614D+01  0.418165D+00  0.293973D+01
      5  -0.174860D+00  0.230145D+01 -0.164976D+00  0.394934D+01 -0.233371D+00
      6  -0.111544D+01  0.908872D+00 -0.131308D+01 -0.193852D+01  0.169957D+00
                86            87            88            89            90 
      1  -0.197390D+01 -0.127648D+01  0.487975D+01 -0.345756D+01 -0.202601D+02
      2   0.111738D-01  0.203632D+01 -0.284181D+01  0.168027D+01 -0.155971D+02
      3   0.196273D+01 -0.759839D+00 -0.203794D+01  0.177728D+01  0.358573D+02
      4   0.228070D+01  0.276347D+01  0.120158D+01  0.334635D+01  0.355786D+01
      5   0.263602D+01 -0.798929D+00  0.583249D+01  0.200479D+01  0.227882D+02
      6   0.128117D+01  0.574311D+01  0.295557D+00  0.582128D+01  0.108877D+02
                91            92            93            94            95 
      1   0.105398D+02 -0.441795D+01  0.275477D+00 -0.156733D+02 -0.144063D+01
      2  -0.570665D+01  0.226223D+01 -0.193359D+00  0.108121D+02  0.150839D+01
      3  -0.483310D+01  0.215572D+01 -0.821187D-01  0.486126D+01 -0.677549D-01
      4  -0.770276D+01  0.313139D+01 -0.307665D+00 -0.126354D+01 -0.147050D+02
      5   0.315409D+00  0.674474D-01  0.241147D+01  0.521793D+00  0.895537D+00
      6  -0.238163D+00 -0.591310D-01 -0.169885D+01 -0.289456D+00  0.726055D+00
                96            97            98            99           100 
      1   0.319640D+00  0.110785D+01  0.330627D+00  0.162915D+01  0.159458D+01
      2  -0.395413D+00 -0.802890D+00 -0.410743D+00 -0.222809D+01 -0.183830D+01
      3   0.757726D-01 -0.304959D+00  0.801156D-01  0.598942D+00  0.243723D+00
      4   0.186185D+00  0.224045D+00  0.873881D+00 -0.142958D+01 -0.151733D+01
      5  -0.316201D+01  0.391607D+01 -0.735375D+00  0.365027D+00  0.455993D+00
      6  -0.213441D+01 -0.936904D+00  0.643074D+00  0.896287D-01  0.116436D+01
               101           102           103           104           105 
      1  -0.162595D+01 -0.943048D+00 -0.320084D+00 -0.769647D+01 -0.457018D+01
      2   0.186694D+01  0.477410D+00  0.743952D-01  0.104291D+02  0.569474D+01
      3  -0.240992D+00  0.465638D+00  0.245689D+00 -0.273262D+01 -0.112457D+01
      4   0.114757D+01  0.144234D+01  0.191142D+01 -0.190411D+01 -0.132755D+01
      5   0.684225D+00  0.166909D+01  0.397593D+00 -0.153095D+01 -0.230966D+01
      6   0.127422D+01  0.194777D+01 -0.286734D+00  0.785657D+01  0.982981D+01
               106           107           108           109           110 
      1  -0.539224D+00 -0.940985D+01 -0.123124D+02  0.720962D+00 -0.316440D+01
      2  -0.847326D-01  0.959558D+01  0.425115D+01  0.195858D+00  0.483252D+01
      3   0.623956D+00 -0.185733D+00  0.806122D+01 -0.916820D+00 -0.166813D+01
      4   0.423534D+01 -0.236133D+01 -0.133737D+01  0.177445D-01  0.299316D+01
      5   0.177817D+01 -0.340084D+01 -0.712140D+01 -0.276659D+00 -0.778247D+00
      6  -0.163526D+00  0.138717D+02  0.238676D+02 -0.191327D+01 -0.231813D+01
               111           112           113           114           115 
      1   0.131997D+01 -0.147359D+01 -0.225049D+02  0.702594D+01  0.127059D+01
      2  -0.151948D+01  0.757690D+00  0.375652D+02 -0.111770D+02 -0.990771D+00
      3   0.199513D+00  0.715902D+00 -0.150603D+02  0.415103D+01 -0.279817D+00
      4  -0.156191D+01  0.452278D+01 -0.661201D+01  0.188637D+01 -0.249579D+01
      5   0.983449D+00 -0.373005D+00  0.326055D+01 -0.248816D+01  0.103956D+01
      6   0.247018D+01  0.638734D-01 -0.149677D+02  0.109663D+02  0.328989D+00
               116           117           118           119           120 
      1   0.114213D+02 -0.841197D+01 -0.738592D+01 -0.228800D+01  0.899757D+00
      2  -0.155885D+02  0.859741D+01  0.576549D+01  0.102380D+01 -0.210732D+00
      3   0.416717D+01 -0.185434D+00  0.162044D+01  0.126420D+01 -0.689025D+00
      4   0.276846D+01 -0.134382D+01 -0.836037D-01 -0.360916D+01 -0.206560D+00
      5  -0.308940D+01  0.208214D+01  0.736896D+00 -0.242456D-01 -0.159295D+01
      6   0.139586D+02 -0.104944D+02 -0.407384D+00 -0.421724D+00 -0.602619D+00
               121           122           123           124           125 
      1  -0.108197D+02 -0.562773D+01  0.428564D+00  0.132079D+01 -0.102739D+00
      2   0.667286D+01  0.874172D+01 -0.418019D+00 -0.970864D+00  0.221112D-01
      3   0.414689D+01 -0.311399D+01 -0.105443D-01 -0.349929D+00  0.806277D-01
      4   0.160259D+01 -0.148034D+02 -0.354589D+00 -0.121897D+00  0.827633D+00
      5   0.618531D+00  0.930810D-01 -0.444612D+01  0.174048D+01 -0.154876D+01
      6  -0.177175D+00 -0.551437D+00  0.107896D+01 -0.353550D+00  0.276747D+01
               126 
      1  -0.661784D+00
      2  -0.210898D+00
      3   0.872682D+00
      4  -0.129575D+01
      5  -0.101002D+01
      6   0.195756D+00
 Leave Link  716 at Thu Aug 12 21:37:22 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.644015D+02 -0.285672D+01 -0.336259D+00
      2  -0.285672D+01  0.638550D+02  0.240569D+00
      3  -0.336259D+00  0.240569D+00  0.478289D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.117774D+01 -0.208773D+01 -0.132340D+02
      2   0.805366D+00  0.208281D+01  0.824332D+01
      3   0.990489D+01  0.377422D+01 -0.116052D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.154059D+01 -0.176167D+02 -0.324277D+01
      2   0.337487D+01  0.267210D+02 -0.100401D+01
      3  -0.183428D+01 -0.910424D+01  0.424678D+01
      4   0.174988D+02  0.697126D+01  0.482672D+01
      5   0.293451D+01  0.375668D+01  0.153113D+02
      6   0.171769D+01  0.140204D+01  0.299693D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.336669D+01  0.515319D+00  0.182298D+01 -0.813371D+00 -0.450249D+01
      2   0.515319D+00 -0.242733D+01  0.470088D+00 -0.450249D+01 -0.408576D+01
      3   0.182298D+01  0.470088D+00  0.207758D+01 -0.812582D-01  0.853267D+00
                 6             7             8             9            10 
      1  -0.812582D-01  0.252145D+01  0.923213D-01  0.116722D+01 -0.399351D+01
      2   0.853267D+00  0.923213D-01  0.110189D+01 -0.838364D+00 -0.159210D+00
      3  -0.522939D+00  0.116722D+01 -0.838364D+00 -0.846629D+01 -0.139378D+01
                11            12            13            14            15 
      1  -0.159210D+00 -0.139378D+01 -0.781471D+00  0.324949D+01  0.148495D+00
      2   0.259296D+01  0.671140D-01  0.324949D+01  0.152267D+01 -0.238429D+00
      3   0.671140D-01 -0.129771D+01  0.148495D+00 -0.238429D+00  0.366407D+00
                16            17            18            19            20 
      1  -0.225889D+01  0.263578D+00 -0.127838D+01  0.864042D-02  0.140865D+00
      2   0.263578D+00 -0.366524D-01 -0.355747D+00  0.140865D+00 -0.425358D+01
      3  -0.127838D+01 -0.355747D+00  0.665564D+01  0.970860D-01  0.234901D-01
                21            22            23            24            25 
      1   0.970860D-01  0.277337D+01 -0.331116D+01 -0.126419D-01 -0.331438D+00
      2   0.234901D-01 -0.331116D+01  0.288892D+01 -0.335194D+00 -0.159739D+00
      3  -0.681307D+00 -0.126419D-01 -0.335194D+00  0.252411D+00 -0.419586D+00
                26            27            28            29            30 
      1  -0.159739D+00 -0.419586D+00 -0.691483D+01 -0.874471D+00  0.247117D+00
      2   0.119741D+00  0.680465D-01 -0.874471D+00  0.170088D+00 -0.305795D-01
      3   0.680465D-01 -0.633933D+00  0.247117D+00 -0.305795D-01 -0.102400D+01
                31            32            33            34            35 
      1  -0.352726D+01 -0.221612D+01  0.114114D+00  0.937707D+00  0.364429D+00
      2  -0.221612D+01 -0.533698D+01  0.283299D+00  0.364429D+00  0.443405D+00
      3   0.114114D+00  0.283299D+00 -0.221751D+00 -0.210689D+01 -0.134864D-01
                36            37            38            39            40 
      1  -0.210689D+01  0.746653D+01 -0.208384D+01 -0.110979D+01  0.879202D+00
      2  -0.134864D-01 -0.208384D+01  0.287878D+01  0.120915D-01  0.419073D+01
      3   0.506201D+00 -0.110979D+01  0.120915D-01  0.356680D+00 -0.884063D-01
                41            42            43            44            45 
      1   0.419073D+01 -0.884063D-01 -0.161512D+01  0.503821D+00  0.134956D+01
      2   0.787275D+00 -0.307598D+00  0.503821D+00 -0.811215D+00 -0.730825D+00
      3  -0.307598D+00  0.939667D+00  0.134956D+01 -0.730825D+00 -0.299672D+00
                46            47            48            49            50 
      1  -0.230026D+01  0.248279D+01  0.597866D+00  0.204633D+01 -0.285857D+01
      2   0.248279D+01 -0.342561D+01  0.211288D+00 -0.285857D+01 -0.187129D+01
      3   0.597866D+00  0.211288D+00 -0.875434D+00  0.268382D+00  0.934799D+00
                51            52            53            54            55 
      1   0.268382D+00  0.477283D+00  0.271165D+00 -0.908771D+00  0.456775D+01
      2   0.934799D+00  0.271165D+00  0.113400D+01 -0.223299D+01 -0.258305D+01
      3  -0.219297D+01 -0.908771D+00 -0.223299D+01 -0.328470D+01  0.155805D+00
                56            57            58            59            60 
      1  -0.258305D+01  0.155805D+00 -0.460748D+01  0.255219D+01 -0.240124D-01
      2   0.238430D+01 -0.106804D+00  0.255219D+01 -0.118099D+02  0.344054D+00
      3  -0.106804D+00  0.119162D+01 -0.240124D-01  0.344054D+00 -0.201247D+01
                61            62            63            64            65 
      1   0.399578D+00 -0.164044D+00  0.102955D+01  0.136906D+01  0.281834D+00
      2  -0.164044D+00  0.527488D+00 -0.285813D+01  0.281834D+00 -0.169645D+00
      3   0.102955D+01 -0.285813D+01  0.644573D+00 -0.108299D+01  0.222953D-01
                66            67            68            69            70 
      1  -0.108299D+01  0.158138D+00 -0.506094D+00 -0.936254D-02 -0.133315D+01
      2   0.222953D-01 -0.506094D+00  0.217549D+00 -0.110166D+01 -0.389352D-01
      3   0.107551D+01 -0.936254D-02 -0.110166D+01  0.162369D+00  0.687346D+00
                71            72            73            74            75 
      1  -0.389352D-01  0.687346D+00  0.302914D+01  0.217125D+01 -0.522990D+00
      2  -0.176632D+01  0.664931D+00  0.217125D+01  0.241045D+01 -0.140753D+00
      3   0.664931D+00 -0.830372D+01 -0.522990D+00 -0.140753D+00  0.545517D+00
                76            77            78            79            80 
      1   0.302423D+01  0.320681D+01 -0.346345D-01 -0.107229D+01 -0.373754D+00
      2   0.320681D+01  0.676123D+01 -0.524372D+00 -0.373754D+00 -0.120319D+01
      3  -0.346345D-01 -0.524372D+00  0.885556D+00  0.664223D+00  0.108310D+01
                81            82            83            84            85 
      1   0.664223D+00 -0.673507D+00  0.147287D+00  0.115677D+01 -0.324089D+00
      2   0.108310D+01  0.147287D+00  0.106468D+00 -0.277707D+00  0.436354D+00
      3   0.257123D+00  0.115677D+01 -0.277707D+00 -0.113005D+01 -0.835082D-01
                86            87            88            89            90 
      1   0.436354D+00 -0.835082D-01  0.163330D+01 -0.294860D+00  0.194950D+00
      2   0.349440D+00  0.116123D+01 -0.294860D+00  0.135220D+01  0.793886D+00
      3   0.116123D+01 -0.232688D+00  0.194950D+00  0.793886D+00  0.946899D+01
                91            92            93            94            95 
      1  -0.270457D+01  0.881833D+00 -0.125439D+00  0.345909D+01  0.342400D+00
      2   0.881833D+00 -0.589439D+00 -0.129622D-01  0.342400D+00  0.541008D+01
      3  -0.125439D+00 -0.129622D-01 -0.802119D+00 -0.203418D+00 -0.169420D+00
                96            97            98            99           100 
      1  -0.203418D+00 -0.282175D+00 -0.108568D+00 -0.751503D+00 -0.412221D+00
      2  -0.169420D+00 -0.108568D+00 -0.403648D+00  0.667864D-01 -0.463518D-01
      3   0.415319D+00 -0.751503D+00  0.667864D-01 -0.704729D-02  0.244018D+00
               101           102           103           104           105 
      1  -0.463518D-01  0.244018D+00  0.850563D-01 -0.908724D-01 -0.407065D-01
      2   0.382612D+00  0.212001D+00 -0.908724D-01  0.214169D+01  0.141867D+01
      3   0.212001D+00  0.363675D+00 -0.407065D-01  0.141867D+01  0.147204D+01
               106           107           108           109           110 
      1   0.131376D+01 -0.288421D+00 -0.652229D-01 -0.312339D+00  0.302718D+00
      2  -0.288421D+00  0.281729D+01  0.263160D+01  0.302718D+00  0.884387D+00
      3  -0.652229D-01  0.263160D+01  0.555684D+01 -0.257531D+00 -0.313524D+00
               111           112           113           114           115 
      1  -0.257531D+00  0.836852D+00  0.817261D-01 -0.703401D-01 -0.874223D+00
      2  -0.313524D+00  0.817261D-01  0.734976D+01 -0.213698D+01 -0.184453D+00
      3   0.371292D+00 -0.703401D-01 -0.213698D+01  0.181532D+01  0.972701D-01
               116           117           118           119           120 
      1  -0.184453D+00  0.972701D-01 -0.249658D+01 -0.117697D+01  0.170866D+00
      2  -0.360807D+01  0.218799D+01 -0.117697D+01 -0.944432D+00 -0.136039D+00
      3   0.218799D+01 -0.187463D+01  0.170866D+00 -0.136039D+00 -0.171248D+00
               121           122           123           124           125 
      1  -0.320860D+01 -0.574397D+00  0.117297D+00  0.484197D+00  0.117460D+00
      2  -0.574397D+00 -0.432469D+01 -0.181663D+00  0.117460D+00  0.333084D+00
      3   0.117297D+00 -0.181663D+00 -0.112625D+01  0.340238D+00 -0.466803D+00
               126 
      1   0.340238D+00
      2  -0.466803D+00
      3  -0.219390D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.257792D+01 -0.248908D+01 -0.312320D+01 -0.236614D+01 -0.312378D+01
      2   0.406023D+01  0.102838D+01  0.357092D+01 -0.287988D-01  0.250759D+01
      3   0.498699D+01  0.392102D+01  0.111951D+01  0.102141D+02  0.127623D+01
                 6             7             8             9            10 
      1   0.528998D-01 -0.143359D+01  0.231366D+01  0.826754D+01  0.167593D+01
      2   0.686455D+00 -0.210831D+01 -0.110536D+01 -0.103184D+02 -0.115488D+01
      3  -0.157341D+01  0.197527D+01 -0.137389D+01  0.258612D+01 -0.324988D+01
                11            12            13            14            15 
      1  -0.583865D+00 -0.458024D+00 -0.253655D+01  0.466767D+00 -0.304254D+01
      2  -0.714781D+00  0.154035D+01  0.193810D+01  0.720190D+00  0.272757D+01
      3  -0.470714D+01 -0.132385D+01  0.123870D+01 -0.187707D+01  0.635255D+00
                16            17            18            19            20 
      1   0.582916D+00  0.370808D+01 -0.168683D+01  0.170521D+00  0.141048D+01
      2  -0.460560D+01  0.133813D+01  0.612783D+00 -0.517935D+00 -0.197268D+01
      3  -0.350560D+01  0.319267D+00 -0.774770D+00  0.131485D+01 -0.587261D+01
                21            22            23            24            25 
      1  -0.180137D+01  0.225022D+01  0.274597D+01  0.837829D+01  0.310906D+01
      2  -0.600606D+01 -0.245998D+01  0.419634D+00  0.259791D+00 -0.130277D+02
      3   0.151964D+01 -0.616079D+01  0.232588D+01 -0.109023D+01  0.345858D+01
                26            27            28            29            30 
      1   0.128559D+02 -0.240791D+01  0.544894D+00  0.923161D-02 -0.199567D+00
      2  -0.489525D+01  0.200375D+01 -0.122004D+01 -0.380399D+00  0.801723D+01
      3  -0.835121D+00  0.936992D+00  0.339621D+01 -0.484608D+01 -0.298352D+00
                31            32            33            34            35 
      1  -0.732871D+00 -0.113860D+01 -0.351103D+01 -0.306366D+01 -0.919574D-01
      2   0.104055D+01 -0.485587D+00  0.242236D+01  0.306998D+01  0.328367D+01
      3  -0.443094D+00 -0.197875D+02  0.911030D+00 -0.454938D+00  0.226290D+01
                36            37            38            39            40 
      1   0.690527D+00 -0.720690D-01 -0.141762D+00  0.303985D+01  0.185508D+00
      2  -0.172526D+01 -0.227905D+01  0.131976D+01  0.572438D+01 -0.555843D-01
      3   0.142172D+01 -0.304302D+01 -0.166402D+02 -0.100622D+01 -0.107804D+02
                41            42            43            44            45 
      1  -0.115991D+01 -0.434980D+01 -0.238719D+00  0.373722D+01 -0.148881D+01
      2  -0.883422D+00 -0.415879D+00 -0.990782D-01 -0.115497D+01 -0.186247D+01
      3  -0.454943D+01  0.987445D+00  0.289370D+00  0.276679D+01  0.158318D+01
                46            47            48            49            50 
      1  -0.118904D+01  0.204806D+00  0.233627D+01  0.473994D+00 -0.463826D+01
      2  -0.109612D+01  0.141212D+01  0.645573D+01 -0.230728D+00 -0.225425D+01
      3  -0.121438D+00 -0.566568D+01  0.788519D+00  0.590019D+01 -0.863438D+01
                51            52            53            54            55 
      1   0.725306D+00  0.155949D+01  0.971459D+01  0.574034D+01 -0.151467D+00
      2   0.208827D+01 -0.163743D+01  0.384594D+01  0.408134D+01  0.251632D+00
      3   0.150805D+01  0.133080D+01  0.231467D+01 -0.526496D+01 -0.877760D+01
                56            57            58            59            60 
      1  -0.590932D+00  0.192447D+01  0.299483D+00  0.774421D+00 -0.111113D+02
      2   0.811213D+00  0.387600D+01 -0.778223D-01 -0.831788D+00 -0.110638D+01
      3   0.981206D+00 -0.603795D+00  0.166508D+02 -0.747020D+01  0.400690D+00
                61            62            63            64            65 
      1  -0.773857D+00 -0.153295D+01  0.179875D+01  0.502114D+00 -0.279251D+00
      2  -0.230625D+01  0.382160D+01 -0.585334D+00  0.119603D+01  0.210177D+00
      3  -0.241557D+01 -0.239254D+00 -0.362090D+01  0.763849D+00 -0.418024D+00
                66            67            68            69            70 
      1  -0.340887D+00  0.189988D+00 -0.174436D+00  0.586518D-01 -0.607166D+00
      2   0.813363D+00 -0.414559D-01 -0.130293D+00 -0.288994D+00 -0.220614D+01
      3  -0.803619D+00  0.138588D+01 -0.224849D+00  0.109872D+00 -0.714999D+00
                71            72            73            74            75 
      1   0.256200D+01  0.432130D+01  0.164454D+01  0.145630D+01 -0.125420D+01
      2   0.413049D+00 -0.556606D+00 -0.134762D+01 -0.863639D+00  0.195380D+01
      3   0.244413D+00  0.214190D+00  0.153282D+00 -0.308461D+01 -0.342161D+00
                76            77            78            79            80 
      1   0.119562D+01  0.321008D+01 -0.322285D+01 -0.672460D+00 -0.528572D+00
      2  -0.489562D+00 -0.146867D+01  0.218484D+01  0.306082D+00  0.151684D+01
      3   0.238662D+00 -0.852106D+01  0.100551D+01 -0.113553D+01  0.166544D+01
                81            82            83            84            85 
      1   0.268958D+00 -0.674645D+00 -0.104814D+00  0.712245D+00  0.794879D-01
      2   0.995512D-01  0.256900D+01 -0.682053D+00 -0.113497D+01 -0.493434D-01
      3  -0.965505D+00 -0.128234D+01 -0.701977D+00  0.123337D+01 -0.758226D-01
                86            87            88            89            90 
      1  -0.818366D+00  0.365309D+00 -0.312729D+00  0.343267D+01 -0.767958D+01
      2   0.162533D+01 -0.185714D+00 -0.433833D+01  0.148485D+01  0.133022D+02
      3   0.931371D-02 -0.152680D+01  0.172340D+01 -0.229016D+01 -0.154170D+01
                91            92            93            94            95 
      1   0.331594D+00  0.226730D+00  0.114520D+01  0.195095D+00  0.133994D+01
      2   0.498769D-01 -0.111692D+00  0.101397D+01 -0.227724D+00  0.252683D+00
      3  -0.289403D+00 -0.223436D+01 -0.246646D+00  0.769597D+00  0.222863D+02
                96            97            98            99           100 
      1   0.127827D+01  0.591666D+00  0.254579D+01 -0.529280D-01 -0.504299D+00
      2  -0.216729D+01 -0.414231D+00 -0.103366D+01  0.322894D+00 -0.105534D+01
      3  -0.645978D+00  0.596366D-01 -0.163052D+01 -0.528528D+00 -0.770255D+00
               101           102           103           104           105 
      1   0.157443D+00 -0.960941D+00  0.310298D+00 -0.223025D+01 -0.385098D+01
      2  -0.151621D+00 -0.540327D+00 -0.365971D-02 -0.174232D+01 -0.190300D+01
      3  -0.640508D+00  0.492332D+00  0.591660D+00  0.202881D+01  0.130598D+01
               106           107           108           109           110 
      1  -0.264015D+00 -0.363752D+01 -0.111403D+02  0.279182D-01  0.426173D+00
      2  -0.260672D+01 -0.293971D+01 -0.626211D+01  0.442773D+00  0.501162D+00
      3   0.316597D+01  0.224846D+01  0.298054D+01 -0.324990D+00  0.656803D+00
               111           112           113           114           115 
      1  -0.109738D+01 -0.159724D-01  0.360558D+01 -0.470579D+01 -0.302452D+00
      2  -0.394881D+00  0.758016D+00  0.279694D+01 -0.197124D+01 -0.128305D+01
      3  -0.744202D+00  0.375739D+01  0.782232D+01 -0.246602D+01 -0.299543D+01
               116           117           118           119           120 
      1  -0.323265D+01  0.374278D+01  0.271932D+00  0.298539D+00  0.775394D-01
      2  -0.259115D+01  0.150892D+01 -0.667798D-01 -0.285566D+00 -0.966701D+00
      3  -0.445905D+01  0.264082D+01  0.867369D+01  0.732237D+01  0.965542D-01
               121           122           123           124           125 
      1   0.640061D+00  0.102045D+01 -0.987254D+00  0.395577D+00  0.835518D-01
      2  -0.720083D-01 -0.526030D+00 -0.233080D+01 -0.940958D+00 -0.554590D+00
      3   0.891082D+01  0.138862D+02  0.271168D+00 -0.780963D+00 -0.993950D+00
               126 
      1  -0.254943D+00
      2  -0.453850D+00
      3   0.332803D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.158963D+00  0.975159D+00 -0.663798D+00  0.541050D+01 -0.494125D+01
      2  -0.433137D+01 -0.509104D+01 -0.406697D+01 -0.957495D+01 -0.984796D+01
      3   0.449033D+01  0.411588D+01  0.473076D+01  0.416445D+01  0.147892D+02
      4   0.235757D+01 -0.119213D+02  0.447188D+01 -0.184147D+02 -0.194931D+02
      5   0.749498D+01  0.754096D+00  0.204638D+01 -0.209712D+01  0.247228D+01
      6   0.331090D+01  0.259687D+01  0.568561D+01 -0.474695D+00 -0.435720D+00
                 6             7             8             9            10 
      1   0.140642D+01  0.562915D+01  0.152682D+01  0.156413D+02 -0.552193D+01
      2   0.375910D+01 -0.382841D+01  0.159974D+01  0.684788D+01  0.431566D+01
      3  -0.516553D+01 -0.180073D+01 -0.312657D+01 -0.224892D+02  0.120627D+01
      4   0.215614D+01  0.140761D+01  0.407614D+01 -0.238316D+01 -0.151911D+01
      5   0.198422D+01  0.229822D+01 -0.151964D+01 -0.170283D+02 -0.235753D+01
      6  -0.333258D+01  0.206884D+01 -0.643938D+00 -0.980295D+01 -0.247965D+01
                11            12            13            14            15 
      1  -0.565015D+01 -0.147121D+01  0.251475D+01 -0.489859D+00  0.149983D+01
      2   0.982223D+01  0.345238D+00  0.172028D+01  0.414420D+00 -0.359891D+00
      3  -0.417208D+01  0.112597D+01 -0.423503D+01  0.754385D-01 -0.113994D+01
      4  -0.256768D+01 -0.284092D+01 -0.500026D+01  0.732570D+01  0.796642D+00
      5  -0.565378D+00 -0.121234D+01  0.900524D+00  0.108845D+01  0.275632D+01
      6  -0.586647D+00 -0.110203D+01 -0.587506D-01 -0.442625D+00 -0.126780D+00
                16            17            18            19            20 
      1  -0.126002D+01 -0.566699D+00  0.594776D+01 -0.124930D+02 -0.778111D+01
      2  -0.870705D+00 -0.450475D+01  0.100271D+02  0.644343D+01  0.106949D+02
      3   0.213072D+01  0.507145D+01 -0.159749D+02  0.604956D+01 -0.291382D+01
      4  -0.452698D+01  0.128406D+00 -0.217725D+01  0.881339D+00 -0.150510D+01
      5  -0.109108D+01 -0.940942D+00  0.538096D+01  0.119888D+01 -0.979360D+00
      6  -0.270762D+01  0.552633D-01  0.817483D+01  0.276008D+00 -0.397307D+00
                21            22            23            24            25 
      1   0.670496D+00  0.662190D+00  0.211938D+02 -0.207955D+01  0.102848D+01
      2  -0.148219D+01  0.105302D+01 -0.296924D+02 -0.433858D+00 -0.138734D+01
      3   0.811690D+00 -0.171521D+01  0.849862D+01  0.251341D+01  0.358857D+00
      4  -0.239144D+00 -0.908636D+01  0.456859D+01 -0.233856D+00  0.297006D+01
      5  -0.972916D+01 -0.295756D+00 -0.106818D+01  0.234515D+01  0.321811D+01
      6   0.425459D+01 -0.278623D+00 -0.297440D+00 -0.982830D+01 -0.258780D+00
                26            27            28            29            30 
      1  -0.424139D+01 -0.365102D+01  0.426618D+02  0.390046D+01 -0.120696D+01
      2   0.374208D+01 -0.729778D+01 -0.255894D+02 -0.197362D+01  0.131463D+01
      3   0.499306D+00  0.109488D+02 -0.170724D+02 -0.192684D+01 -0.107662D+00
      4   0.842124D+00  0.806730D+00  0.113453D+02  0.893558D+01  0.599942D+00
      5  -0.135989D+01  0.194865D+01 -0.195278D+01  0.681534D+00  0.156878D+02
      6   0.193762D+01  0.251979D+01  0.504180D+00  0.505671D+00  0.836577D+00
                31            32            33            34            35 
      1   0.120117D+02  0.528923D+01  0.387091D+00 -0.185640D+01  0.655073D+00
      2  -0.721052D+01 -0.735788D+00  0.168762D-01  0.205381D+01  0.346992D+00
      3  -0.480115D+01 -0.455344D+01 -0.403967D+00 -0.197407D+00 -0.100207D+01
      4   0.154586D+02  0.162428D+02 -0.919237D+00 -0.523339D+00 -0.138864D+01
      5   0.103673D-01 -0.136575D+01  0.269876D+01  0.144856D+02  0.949268D+00
      6  -0.254241D+00 -0.575989D+00  0.609958D+01  0.383327D+01  0.464921D+01
                36            37            38            39            40 
      1   0.526613D+01  0.423025D+02 -0.547851D+01 -0.224333D+01 -0.227347D+01
      2  -0.795864D+01 -0.256916D+02  0.775673D-03  0.393500D+01 -0.378269D+00
      3   0.269250D+01 -0.166109D+02  0.547774D+01 -0.169168D+01  0.265174D+01
      4   0.363560D+01 -0.114683D+02  0.156484D+02 -0.172105D+00  0.173728D+02
      5  -0.319596D+01 -0.562956D+01  0.435895D+00  0.107569D+02  0.918356D+00
      6  -0.847480D+00 -0.332636D+00 -0.679157D+00 -0.375500D+01  0.417782D-01
                41            42            43            44            45 
      1   0.105768D+02 -0.319922D+01 -0.678435D+01  0.392928D+00  0.172242D+01
      2  -0.247551D+01 -0.850558D+00  0.508742D+01  0.713800D+00 -0.789119D+01
      3  -0.810126D+01  0.404978D+01  0.169694D+01 -0.110673D+01  0.616877D+01
      4   0.317140D-01 -0.155879D+01  0.261692D+01 -0.301363D+01 -0.293977D+01
      5  -0.235179D+01 -0.915499D+00  0.125576D+02 -0.465047D+01 -0.405245D+01
      6   0.169845D+01  0.795570D+01 -0.196403D+01  0.466278D+01  0.219981D+01
                46            47            48            49            50 
      1   0.468235D+01  0.721993D+01 -0.143829D+01  0.562555D+00  0.925203D+01
      2   0.445117D+01 -0.133531D+02  0.134784D+01 -0.612240D+01 -0.791035D+01
      3  -0.913353D+01  0.613314D+01  0.904526D-01  0.555985D+01 -0.134167D+01
      4  -0.570691D+01  0.172639D+02  0.193355D+01  0.167333D+02 -0.768523D+01
      5  -0.521558D+00  0.725986D+00  0.725922D+01 -0.336698D+00 -0.248672D+01
      6   0.176888D+01  0.149956D+01 -0.523175D+01  0.850853D+00  0.720479D+01
                51            52            53            54            55 
      1  -0.201324D+01 -0.202265D+01 -0.258898D+01  0.102211D+02 -0.920657D+00
      2   0.621498D+01  0.133316D+01  0.808066D+01 -0.121186D+02  0.548505D+01
      3  -0.420174D+01  0.689485D+00 -0.549168D+01  0.189753D+01 -0.456439D+01
      4  -0.115683D+01  0.896822D+00 -0.189303D+01 -0.165613D+01 -0.671364D+01
      5   0.162396D+01  0.640549D+01  0.373886D+01  0.416729D+01  0.128244D+00
      6  -0.656620D+01 -0.351272D+01 -0.981858D+01 -0.118488D+02 -0.471705D+00
                56            57            58            59            60 
      1   0.694530D+01 -0.654484D+00  0.723476D+01 -0.381226D+02  0.871950D+00
      2  -0.993496D+01  0.338009D+00 -0.850482D+01  0.566062D+02 -0.222772D+00
      3   0.298966D+01  0.316475D+00  0.127006D+01 -0.184836D+02 -0.649178D+00
      4   0.138083D+02 -0.640114D+00  0.161798D+02  0.107651D+01  0.105653D+00
      5  -0.306657D+00  0.590770D+01 -0.352003D+00  0.605102D+00 -0.793622D+00
      6   0.454790D+00 -0.395523D+01  0.434947D+00 -0.150365D+00  0.176283D+02
                61            62            63            64            65 
      1  -0.219563D+00  0.269104D+01 -0.997057D+01  0.781232D+00  0.770810D+00
      2   0.501253D+00 -0.197500D+01  0.731324D+01 -0.428760D+01 -0.994960D+00
      3  -0.281690D+00 -0.716041D+00  0.265733D+01  0.350637D+01  0.224151D+00
      4  -0.139048D+01 -0.426018D-01  0.214090D+00  0.110291D+01  0.197183D+01
      5   0.346871D+01  0.250101D+01 -0.739964D-01 -0.138604D+01 -0.298392D+00
      6  -0.334827D+01  0.159003D+02 -0.265318D+01 -0.156553D+01 -0.488313D+00
                66            67            68            69            70 
      1   0.596852D+00  0.116656D+00 -0.321243D+01  0.561007D+00  0.461294D+00
      2   0.149676D+01  0.379505D+00  0.251461D+00 -0.154095D+01  0.235431D+01
      3  -0.209361D+01 -0.496161D+00  0.296097D+01  0.979943D+00 -0.281560D+01
      4  -0.128018D+01  0.210556D+01  0.237257D+00 -0.516920D+00 -0.121988D+01
      5   0.648302D+01 -0.139555D+00 -0.125705D+01 -0.278673D+00  0.472956D+01
      6   0.120978D+01 -0.823838D+00 -0.126062D+01  0.606450D+01  0.122099D+01
                71            72            73            74            75 
      1   0.254215D+01 -0.157193D+02  0.110440D+02  0.575180D+01 -0.153121D+01
      2  -0.429076D+00 -0.160460D+02 -0.602020D+00  0.228095D+01  0.662586D-01
      3  -0.211307D+01  0.317654D+02 -0.104420D+02 -0.803274D+01  0.146496D+01
      4   0.385861D+00  0.110266D+01  0.160436D+02  0.159220D+02 -0.137671D+01
      5   0.709190D+00 -0.441161D+01 -0.843983D+00  0.864074D-02  0.320896D+01
      6   0.517636D+01 -0.109322D+02 -0.524860D+00 -0.676323D-01  0.187950D+01
                76            77            78            79            80 
      1   0.535433D+01 -0.287211D+01  0.477852D+00 -0.279152D+01  0.646880D+00
      2   0.468096D+01  0.202745D+02 -0.200284D+01  0.671740D+00 -0.303357D+01
      3  -0.100353D+02 -0.174024D+02  0.152499D+01  0.211978D+01  0.238669D+01
      4   0.193398D+02  0.305828D+02 -0.216295D+01 -0.327401D+01 -0.454962D+01
      5   0.460345D+00 -0.990582D+00  0.378425D+01  0.402247D+01  0.448547D+01
      6   0.745844D+00  0.155452D+00  0.445094D+01  0.264105D+01  0.487385D+01
                81            82            83            84            85 
      1  -0.132663D+01 -0.197814D+01  0.103366D+01  0.594143D+01 -0.140269D+01
      2   0.425651D+00 -0.154406D+01  0.467756D+00 -0.162424D+01  0.183121D+01
      3   0.900982D+00  0.352220D+01 -0.150141D+01 -0.431719D+01 -0.428518D+00
      4   0.524589D+01  0.106567D+00  0.263614D+01  0.418165D+00  0.293973D+01
      5  -0.174860D+00  0.230145D+01 -0.164976D+00  0.394934D+01 -0.233371D+00
      6  -0.111544D+01  0.908872D+00 -0.131308D+01 -0.193852D+01  0.169957D+00
                86            87            88            89            90 
      1  -0.197390D+01 -0.127648D+01  0.487975D+01 -0.345756D+01 -0.202601D+02
      2   0.111738D-01  0.203632D+01 -0.284181D+01  0.168027D+01 -0.155971D+02
      3   0.196273D+01 -0.759839D+00 -0.203794D+01  0.177728D+01  0.358573D+02
      4   0.228070D+01  0.276347D+01  0.120158D+01  0.334635D+01  0.355786D+01
      5   0.263602D+01 -0.798929D+00  0.583249D+01  0.200479D+01  0.227882D+02
      6   0.128117D+01  0.574311D+01  0.295557D+00  0.582128D+01  0.108877D+02
                91            92            93            94            95 
      1   0.105398D+02 -0.441795D+01  0.275477D+00 -0.156733D+02 -0.144063D+01
      2  -0.570665D+01  0.226223D+01 -0.193359D+00  0.108121D+02  0.150839D+01
      3  -0.483310D+01  0.215572D+01 -0.821187D-01  0.486126D+01 -0.677549D-01
      4  -0.770276D+01  0.313139D+01 -0.307665D+00 -0.126354D+01 -0.147050D+02
      5   0.315409D+00  0.674474D-01  0.241147D+01  0.521793D+00  0.895537D+00
      6  -0.238163D+00 -0.591310D-01 -0.169885D+01 -0.289456D+00  0.726055D+00
                96            97            98            99           100 
      1   0.319640D+00  0.110785D+01  0.330627D+00  0.162915D+01  0.159458D+01
      2  -0.395413D+00 -0.802890D+00 -0.410743D+00 -0.222809D+01 -0.183830D+01
      3   0.757726D-01 -0.304959D+00  0.801156D-01  0.598942D+00  0.243723D+00
      4   0.186185D+00  0.224045D+00  0.873881D+00 -0.142958D+01 -0.151733D+01
      5  -0.316201D+01  0.391607D+01 -0.735375D+00  0.365027D+00  0.455993D+00
      6  -0.213441D+01 -0.936904D+00  0.643074D+00  0.896287D-01  0.116436D+01
               101           102           103           104           105 
      1  -0.162595D+01 -0.943048D+00 -0.320084D+00 -0.769647D+01 -0.457018D+01
      2   0.186694D+01  0.477410D+00  0.743952D-01  0.104291D+02  0.569474D+01
      3  -0.240992D+00  0.465638D+00  0.245689D+00 -0.273262D+01 -0.112457D+01
      4   0.114757D+01  0.144234D+01  0.191142D+01 -0.190411D+01 -0.132755D+01
      5   0.684225D+00  0.166909D+01  0.397593D+00 -0.153095D+01 -0.230966D+01
      6   0.127422D+01  0.194777D+01 -0.286734D+00  0.785657D+01  0.982981D+01
               106           107           108           109           110 
      1  -0.539224D+00 -0.940985D+01 -0.123124D+02  0.720962D+00 -0.316440D+01
      2  -0.847326D-01  0.959558D+01  0.425115D+01  0.195858D+00  0.483252D+01
      3   0.623956D+00 -0.185733D+00  0.806122D+01 -0.916820D+00 -0.166813D+01
      4   0.423534D+01 -0.236133D+01 -0.133737D+01  0.177445D-01  0.299316D+01
      5   0.177817D+01 -0.340084D+01 -0.712140D+01 -0.276659D+00 -0.778247D+00
      6  -0.163526D+00  0.138717D+02  0.238676D+02 -0.191327D+01 -0.231813D+01
               111           112           113           114           115 
      1   0.131997D+01 -0.147359D+01 -0.225049D+02  0.702594D+01  0.127059D+01
      2  -0.151948D+01  0.757690D+00  0.375652D+02 -0.111770D+02 -0.990771D+00
      3   0.199513D+00  0.715902D+00 -0.150603D+02  0.415103D+01 -0.279817D+00
      4  -0.156191D+01  0.452278D+01 -0.661201D+01  0.188637D+01 -0.249579D+01
      5   0.983449D+00 -0.373005D+00  0.326055D+01 -0.248816D+01  0.103956D+01
      6   0.247018D+01  0.638734D-01 -0.149677D+02  0.109663D+02  0.328989D+00
               116           117           118           119           120 
      1   0.114213D+02 -0.841197D+01 -0.738592D+01 -0.228800D+01  0.899757D+00
      2  -0.155885D+02  0.859741D+01  0.576549D+01  0.102380D+01 -0.210732D+00
      3   0.416717D+01 -0.185434D+00  0.162044D+01  0.126420D+01 -0.689025D+00
      4   0.276846D+01 -0.134382D+01 -0.836037D-01 -0.360916D+01 -0.206560D+00
      5  -0.308940D+01  0.208214D+01  0.736896D+00 -0.242456D-01 -0.159295D+01
      6   0.139586D+02 -0.104944D+02 -0.407384D+00 -0.421724D+00 -0.602619D+00
               121           122           123           124           125 
      1  -0.108197D+02 -0.562773D+01  0.428564D+00  0.132079D+01 -0.102739D+00
      2   0.667286D+01  0.874172D+01 -0.418019D+00 -0.970864D+00  0.221112D-01
      3   0.414689D+01 -0.311399D+01 -0.105443D-01 -0.349929D+00  0.806277D-01
      4   0.160259D+01 -0.148034D+02 -0.354589D+00 -0.121897D+00  0.827633D+00
      5   0.618531D+00  0.930810D-01 -0.444612D+01  0.174048D+01 -0.154876D+01
      6  -0.177175D+00 -0.551437D+00  0.107896D+01 -0.353550D+00  0.276747D+01
               126 
      1  -0.661784D+00
      2  -0.210898D+00
      3   0.872682D+00
      4  -0.129575D+01
      5  -0.101002D+01
      6   0.195756D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.198323D+01      0.504088D+01      0.168146D+02
   x         -0.390960D+00     -0.993720D+00     -0.331469D+01
   y          0.194418D+01      0.494162D+01      0.164835D+02
   z          0.227264D-01      0.577646D-01      0.192682D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547268D+02      0.810968D+01      0.902323D+01
   aniso      0.169324D+02      0.250912D+01      0.279177D+01
   xx         0.601322D+02      0.891067D+01      0.991446D+01
   yx        -0.253902D+01     -0.376243D+00     -0.418627D+00
   yy         0.602054D+02      0.892151D+01      0.992652D+01
   zx        -0.455055D+00     -0.674321D-01     -0.750284D-01
   zy         0.262462D+00      0.388928D-01      0.432741D-01
   zz         0.438429D+02      0.649685D+01      0.722872D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.586951D+02      0.869772D+01      0.967752D+01
   aniso      0.170554D+02      0.252735D+01      0.281206D+01
   xx         0.644015D+02      0.954331D+01      0.106184D+02
   yx        -0.285672D+01     -0.423322D+00     -0.471009D+00
   yy         0.638550D+02      0.946234D+01      0.105283D+02
   zx        -0.336259D+00     -0.498285D-01     -0.554417D-01
   zy         0.240569D+00      0.356487D-01      0.396645D-01
   zz         0.478289D+02      0.708751D+01      0.788592D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.88758838         -0.04873937          0.60878486
     6          0.13134855          0.70920869          1.10429614
     6         -1.59976404         -0.25064167         -1.01865767
     8         -3.88545884         -0.96728290         -0.24887032
     8          3.87537404          1.04517558         -1.60149348
     7         -0.86548230         -0.12399515          3.55096411
     8         -0.96056605         -0.32831644         -3.20653688
     1          0.01835313          2.77115470          1.02394158
     1          4.04378731          0.60905830          2.18617115
     1          3.00934959         -2.12538414          0.56091907
     1         -3.85292632         -0.80126631          1.60414851
     1         -0.12026323         -1.81257494          4.07002183
     1         -0.49306375          1.13378119          4.93984754
     1          2.70331611          0.63760943         -2.95313765

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.198323D+01      0.504088D+01      0.168146D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.198323D+01      0.504088D+01      0.168146D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.547268D+02      0.810968D+01      0.902323D+01
   aniso      0.169324D+02      0.250912D+01      0.279177D+01
   xx         0.584162D+02      0.865638D+01      0.963153D+01
   yx         0.329939D+01      0.488919D+00      0.543996D+00
   yy         0.445747D+02      0.660528D+01      0.734937D+01
   zx        -0.225689D+01     -0.334437D+00     -0.372111D+00
   zy        -0.605039D+00     -0.896576D-01     -0.997575D-01
   zz         0.611897D+02      0.906737D+01      0.100888D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.586951D+02      0.869772D+01      0.967752D+01
   aniso      0.170554D+02      0.252735D+01      0.281206D+01
   xx         0.625784D+02      0.927317D+01      0.103178D+02
   yx         0.321776D+01      0.476823D+00      0.530538D+00
   yy         0.485217D+02      0.719018D+01      0.800016D+01
   zx        -0.266868D+01     -0.395457D+00     -0.440006D+00
   zy        -0.644291D+00     -0.954741D-01     -0.106229D+00
   zz         0.649852D+02      0.962981D+01      0.107146D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-U24-26\Freq\RM11\Gen\C3H7N1O3\PIERPA\12-Aug-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,1.400902,0.606476
 ,0.330203\C,0.023343,0.604862,-0.347509\C,-0.73311,-0.696797,-0.043039
 \O,-2.048935,-0.547476,0.094953\O,2.244705,-0.411378,-0.147633\N,-0.82
 3363,1.751312,-0.004429\O,-0.187475,-1.7692,0.050668\H,0.182702,0.6061
 79,-1.429434\H,1.891186,1.559018,0.119143\H,1.257893,0.539142,1.41989\
 H,-2.208899,0.421463,0.023461\H,-0.669033,2.051352,0.952422\H,-0.65157
 7,2.542659,-0.609638\H,1.748102,-1.241813,-0.066668\\Version=ES64L-G16
 RevA.03\State=1-A\HF=-399.1561993\RMSD=8.186e-09\RMSF=3.314e-05\ZeroPo
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 KNIGHT- SIRE, I'VE JUST RETURNED FROM THE FRONT
 KING-   HOW GOES THE BATTLE                    
 KNIGHT- THE SITUATION IS QUITE FLUID           
 KING-   WHAT DOES *THAT* MEAN                  
 KNIGHT- WE'RE UP THE CREEK                     
                THE WIZARD OF ID                
 Job cpu time:       0 days  0 hours 51 minutes  9.4 seconds.
 Elapsed time:       0 days  0 hours  6 minutes 25.3 seconds.
 File lengths (MBytes):  RWF=    129 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:37:22 2021.
